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Personality in Speech

by Tim Polzehl

This work combines interdisciplinary knowledge and experience from research fields of psychology, linguistics, audio-processing, machine learning, and computer science. The work systematically explores a novel research topic devoted to automated modeling of personality expression from speech. For this aim, it introduces a novel personality assessment questionnaire and presents the results of extensive labeling sessions to annotate the speech data with personality assessments. It provides estimates of the Big 5 personality traits, i. e. openness, conscientiousness, extroversion, agreeableness, and neuroticism. Based on a database built on the questionnaire, the book presents models to tell apart different personality types or classes from speech automatically.

Personalized Medicine Meets Artificial Intelligence: Beyond “Hype”, Towards the Metaverse

by Alfredo Cesario Marika D’Oria Charles Auffray Giovanni Scambia

The book provides a multidisciplinary outlook on using Artificial Intelligence (AI)-based solutions in the field of Personalized Medicine and its transitioning towards Personalized Digital Medicine.The first section integrates different perspectives on AI-based solutions and highlights their potential in biomedical research and patient care. In the second section, the authors present several real-world examples that demonstrate the successful use of AI technologies in various contexts. These include examples from digital therapeutics, in silico clinical trials, and network pharmacology. In the final section of the book, the authors explore future directions in AI-enhanced biomedical technologies and discuss emerging technologies such as blockchain, quantum computing and the “metaverse”. The book includes discussions on the ethical, regulatory, and social implications for an AI-based personalized medicine. The integration of heterogeneous disciplines brings together multiple stakeholders and decision makers involved in the personalization of care. Clinicians, students, and researchers from academia and the industry can benefit from this book, since it provides foundational knowledge to drive advances in personalized biomedical research and health care.

Personalized Privacy Protection in Big Data (Data Analytics)

by Shui Yu Youyang Qu Mohammad Reza Nosouhi Lei Cui

This book presents the data privacy protection which has been extensively applied in our current era of big data. However, research into big data privacy is still in its infancy. Given the fact that existing protection methods can result in low data utility and unbalanced trade-offs, personalized privacy protection has become a rapidly expanding research topic.In this book, the authors explore emerging threats and existing privacy protection methods, and discuss in detail both the advantages and disadvantages of personalized privacy protection. Traditional methods, such as differential privacy and cryptography, are discussed using a comparative and intersectional approach, and are contrasted with emerging methods like federated learning and generative adversarial nets.The advances discussed cover various applications, e.g. cyber-physical systems, social networks, and location-based services. Given its scope, the book is of interest to scientists, policy-makers, researchers, and postgraduates alike.

Personalized Psychiatry: Big Data Analytics in Mental Health

by Ives Cavalcante Passos Benson Mwangi Flávio Kapczinski

This book integrates the concepts of big data analytics into mental health practice and research.Mental disorders represent a public health challenge of staggering proportions. According to the most recent Global Burden of Disease study, psychiatric disorders constitute the leading cause of years lost to disability. The high morbidity and mortality related to these conditions are proportional to the potential for overall health gains if mental disorders can be more effectively diagnosed and treated. In order to fill these gaps, analysis in science, industry, and government seeks to use big data for a variety of problems, including clinical outcomes and diagnosis in psychiatry. Multiple mental healthcare providers and research laboratories are increasingly using large data sets to fulfill their mission. Briefly, big data is characterized by high volume, high velocity, variety and veracity of information, and to be useful it must be analyzed, interpreted, and acted upon. As such, focus has to shift to new analytical tools from the field of machine learning that will be critical for anyone practicing medicine, psychiatry and behavioral sciences in the 21st century. Big data analytics is gaining traction in psychiatric research, being used to provide predictive models for both clinical practice and public health systems. As compared with traditional statistical methods that provide primarily average group-level results, big data analytics allows predictions and stratification of clinical outcomes at an individual subject level.Personalized Psychiatry – Big Data Analytics in Mental Health provides a unique opportunity to showcase innovative solutions tackling complex problems in mental health using big data and machine learning. It represents an interesting platform to work with key opinion leaders to document current achievements, introduce new concepts as well as project the future role of big data and machine learning in mental health.

Personalizing Haptics: From Individuals' Sense-Making Schemas to End-User Haptic Tools (Springer Series on Touch and Haptic Systems)

by Hasti Seifi

This monograph presents a vision for haptic personalization tools and lays the foundations for achieving it. Effective haptic personalization requires a suite of tools unified by one underlying conceptual model that can easily be incorporated into users’ workflows with various applications. Toward this vision, the book introduces three mechanisms for haptic personalization and details development of two of them into: 1) an efficient interface for choosing from a large haptic library, and 2) three emotion controls for adjusting haptic signals. A series of quantitative experiments identifies five schemas (engineering, sensation, emotion, metaphor, and usage examples) for how end-users think and talk about haptic sensations and characterizes them as the underlying model for the personalization tools. Personalizing Haptics highlights the need for scalable haptic evaluation methodologies and presents two methodologies for large-scale in-lab evaluation and online crowdsourcing of haptics. While the work focuses on vibrotactile signals as the most mature and accessible type of haptic feedback for end-users, the concepts and findings extend to other categories of haptics. Taking haptics to the crowds will require haptic design practices to go beyond the current one-size-fits-all approach to satisfy users’ diverse perceptual, functional, and hedonic needs reported in the literature. This book provides a starting point for students, researchers, and practitioners in academia or industry who aim to adapt their haptic and multisensory designs to the needs and preferences of a wide audience.

Personas - User Focused Design

by Lene Nielsen

People relate to other people, not to simplified types or segments. This is the concept that underpins this book. Personas, a user centered design methodology covers topics from interaction design within IT, through to issues surrounding product design, communication, and marketing. Project developers need to understand how users approach their products from the product's infancy, and regardless of what the product might be. Developers should be able to describe the user of the product via vivid depictions, as if they - with their different attitudes, desires and habits - were already using the product. In doing so they can more clearly formulate how to turn the product's potential into reality. With contributions from professionals from Australia, Brazil, Finland, Japan, Russia, and the UK presenting real-world examples of persona method, this book will provide readers with valuable insights into this exciting research area. The inspiration to create user descriptions includes character-driven narratives, and the film Thelma & Louise is analyzed in order to understand how the development process can also be an engaging story in various professional contexts. With a solid foundation in her own research at the IT University of Copenhagen and more than five years of experience in solving problems for businesses, Lene Nielsen is Denmark's leading expert in the persona method. She has a PhD in personas and scenarios, and through her research and practical experiences she has developed her own approach to the method - 10 Steps to Personas. Personas - User Focused Design presents a step-by-step methodology of personas which will be of interest to developers of IT, communications solutions and innovative products.

Personas - User Focused Design: User Focused Design (Human–Computer Interaction Series #15)

by Lene Nielsen

People relate to other people, not to simplified types or segments. This is the concept that underpins this book. Personas, a user centered design methodology, covers topics from interaction design within IT, through to issues surrounding product design, communication, and marketing. Project developers need to understand how users approach their products from the product’s infancy, and regardless of what the product might be. Developers should be able to describe the user of the product via vivid depictions, as if they – with their different attitudes, desires and habits – were already using the product. In doing so they can more clearly formulate how to turn the product's potential into reality. Based on 20 years’ experience in solving problems for businesses and 15 years of research, currently at the IT University of Copenhagen, Lene Nielsen is Denmark’s leading expert in the persona method. She has a PhD in personas and scenarios, and through her research and practical experiences has developed her own approach to the method – 10 Steps to Personas. This second edition of Personas – User Focused Design presents a step-by-step methodology of personas which will be of interest to developers of IT, communications solutions and innovative products. This book also includes three new chapters and considerable expansion on the material in the first edition.

Personennahe Dienstleistungen der Zukunft: Beiträge aus Theorie und Praxis (Edition HMD)

by Christoph Lattemann Susanne Robra-Bissantz

Die digitale Transformation fordert und befördert personennahe Dienstleistungen. Dienstleistungen, die Menschen in ihrem Leben unterstützen. Dieses Buch bietet wertvolle Anregungen dazu, wie personennahe Dienstleistungen über digitale Plattformen oder Prozesse gestalten werden können. Dabei setzt es am persönlichen Leben an und bietet Forschungsergebnisse und Praxiserfahrungen aus drei Anwendungsbereichen: zu Hause und im Wohnumfeld, im individuellen privaten oder beruflichen Leben, sowie im Umfeld von Bildung und Wissenschaft. Das Buch liefert Inspirationen für Forschungsprojekte, die aus digitalen Technologien eine personennahe Dienstleistung entwickeln, aber auch für jedes Unternehmen, das eine gute Idee zu einem marktreifen Angebot wandeln muss. Es ist damit ein Must-Read für alle Praktiker*innen und Forscher*innen, die sich mit der digitalen Transformation beschäftigen und dieser theoretisch – auf Basis der Service Logik - und für heutige Märkte mithilfe der Gestaltung innovativer, personennaher Dienstleistungen begegnen wollen.Wie typisch für die Fachbuchreihe Edition HMD greifen die Beiträge das Thema aus Sicht von Forschung und Praxis auf. In diesem Buch wird dabei jeweils ein Beispiel personennaher Dienstleistungen einmal wissenschaftlich und einmal aus dem praktischen Blickwinkel betrachtet.

Perspective Warps and Distorts with Adobe Tools: Putting a New Twist on Illustrator

by Jennifer Harder

Gain skills in illustration and logo manipulation that will enhance your designs and make them more appealing--either in your portfolio or for your client’s next graphic project.As Adobe's Photoshop and Illustrator have evolved, new and unique features have been added to these programs that offer different options for warping and distorting graphics and shapes. For the beginner and intermediate student or graphic artist, choosing or knowing which distort or warp tool to use among so many available can become overwhelming and confusing.This book primarily focuses on teaching how to work with various warping tools and effect filters in Illustrator, though you will also be using or comparing graphics from Adobe Photoshop. Knowing how to work between these two applications is a crucial part of understanding how to successfully manipulate your designs. In Illustrator, you'll see how to alter vector graphics, and learn how to do this with your Layers panel in various non-destructive ways. Some of the tools mentioned in this book will be familiar to you, as you may have used them frequently. However, others are well hidden, are new, or perhaps you have never considered that you could use that tool, dialog box, or filter effect to warp or distort. What You Will LearnBecome proficient in using the warping and distorting tools and effects in IllustratorDiscover how to add perspective to your design or make them look three dimensional Work with the Appearance panel, Graphic Styles, and SymbolsCombine older tools and newer, enhanced onesWho This Book Is ForBeginner- and Intermediate-level readers interested in pursuing careers as graphic artists, photographers, or video artists/animators.

Perspective Warps and Distorts with Adobe Tools: Putting a New Twist on Photoshop

by Jennifer Harder

Gain skills in image and logo manipulation that will enhance your designs and make them more appealing--either in your portfolio or for your client’s next graphic project.As Adobe's Photoshop and Illustrator have evolved, new and unique features have been added to these programs that offer different options for warping and distorting graphics and shapes. For the beginner and intermediate student or graphic artist, choosing or knowing which distort or warp tool to use among so many available can become overwhelming and confusing.This book primarily focuses on teaching how to work with various warping tools and filters in Photoshop, though you will also be using graphics acquired from Adobe Illustrator. Knowing how to work between these two applications is a crucial part of understanding how to successfully manipulate your designs. In Photoshop, you'll see how to alter both raster images and vector graphics, and learn how to do this with layers in various non-destructive ways. Some of the filters mentioned in this book will be familiar to you, as you may have used them frequently. However, others are well hidden, are new, or perhaps you have never considered that you could use that tool, dialog box, or filter to warp or distort. What You Will LearnBecome proficient in using the warping and distorting tools and filters in Photoshop, as well as how to correct basic distortions in photos and add perspectiveGrasp transferring illustrations from Illustrator for use in PhotoshopDiscover how to warp and distort typeGenerate unique patternsWork with Smart Object Layers and Smart FiltersWork in combination with older tools and newer, enhanced ones Who This Book Is ForBeginner- and Intermediate-level readers interested in pursuing careers as graphic artists, photographers, or video artists/animators.

Perspectives and Trends in Education and Technology: Selected Papers from ICITED24, Volume 1 (Lecture Notes in Networks and Systems #858)

by António Abreu João Vidal Carvalho Eusébio Ferreira da Costa Enrique Vázquez-Justo Hernán Viguera Figueroa

This book from the LNNS Series is composed of the best selected papers accepted for presentation and discussion at the 2024 International Conference in Information Technology & Education (ICITED’24). The ICITED is a multidisciplinary conference with a special focus on new Technologies and Systems in the Education sector and was held between July 11 and 13, 2024. The ICITED’24 was supported by the Pernambuco University, Recife, Brazil, and by IADITI—International Association for Digital Transformation and Technological Innovation. The International Conference in Information Technology & Education is an international forum for researchers and professionals in the education sector, which enables the discussion of the latest innovations, trends, and concerns in several areas, in the education sector, associated with information technologies and systems. It is an event for professionals in the sector, in search of technology solutions, where academics, IT experts, and business managers meet to discuss new ideas that help them maximize the potential of learning processes through technology. The ICITED’24 Scientific Committee is composed of a multidisciplinary group of 143 experts who assessed some 262 papers from 26 countries, received for each of the main topics proposed for the conference. The papers accepted for presentation and discussion at the conference are published by Springer and will be submitted for indexing by ISI, SCOPUS, EI-Compendex, Google Scholar, and SpringerLink.

Perspectives and Trends in Education and Technology: Selected Papers from ICITED24, Volume 2 (Lecture Notes in Networks and Systems #859)

by Anabela Mesquita António Abreu João Vidal Carvalho Agostinho Sousa Pinto Marcelo Mendonça Teixeira

This book from the LNNS Series is composed of the best selected papers accepted for presentation and discussion at the 2024 International Conference in Information Technology & Education (ICITED’24). The ICITED is a multidisciplinary conference with a special focus on new Technologies and Systems in the Education sector and was held between July 11 and 13, 2024. The ICITED’24 was supported by the Pernambuco University, Recife, Brazil, and by IADITI—International Association for Digital Transformation and Technological Innovation. The International Conference in Information Technology & Education is an international forum for researchers and professionals in the education sector, which enables the discussion of the latest innovations, trends, and concerns in several areas, in the education sector, associated with information technologies and systems. It is an event for professionals in the sector, in search of technology solutions, where academics, IT experts, and business managers meet to discuss new ideas that help them maximize the potential of learning processes through technology. The ICITED’24 Scientific Committee is composed of a multidisciplinary group of 143 experts who assessed some 262 papers from 26 countries, received for each of the main topics proposed for the conference. The papers accepted for presentation and discussion at the conference are published by Springer and will be submitted for indexing by ISI, SCOPUS, EI-Compendex, Google Scholar, and SpringerLink.

Perspectives in Antenna Technology: Recent Advances and Systems Applications (MIT Lincoln Laboratory Series)

by Jeffrey S. Herd Alan J. Fenn M. David Conway

The definitive volume of recent innovations in antenna technology developed for a wide variety of system applications at MIT Lincoln Laboratory.Antenna technology plays a key role in enabling next-generation sensing and communications for ground-based, airborne, and spaceborne systems across a wide spectrum of frequencies and applications. Advances in RF microelectronics, commercial high-volume manufacturing and packaging, high-fidelity modeling and simulation tools, and affordable high-speed digital signal processing offer new options for next-generation antenna systems. Perspectives in Antenna Technology, by Jeffrey S. Herd, Alan J. Fenn, and M. David Conway, describes a variety of antenna research and development projects from MIT Lincoln Laboratory over the past fifteen years. In addition to highlighting current systems applications for the new antenna technologies, the book provides a modern perspective on the evolution of antenna technology at MIT Lincoln Laboratory.The contributors to this book are all from MIT Lincoln Laboratory. The developments covered include those aimed at reducing the cost of phased array antennas by leveraging high-volume printed circuit board manufacturing and highly integrated packaging techniques; novel solutions to enable ultra-lightweight deployable antennas for space and airborne applications; vector sensor arrays; two unique imaging radar systems, a video-rate microwave imaging system for person-borne concealed threat detection and a system capable of ultrawideband imaging of satellites; simultaneous transmit and receive (STAR) antennas; a variety of novel wideband array antennas, including dual-polarized stepped-notch arrays and coupled dipole arrays; and several types of custom millimeter wave (mmWave) antennas.

Perspectives in Business Informatics Research

by Raimundas Matulevičius Marlon Dumas

This book constitutes the proceedings of the 14th International Conference on Perspectives in Business Informatics Research, BIR 2015, held in Tartu, Estonia, in August 2015. Overall, 49 submissions from 16 countries were rigorously reviewed by 47 members of the Program Committee representing 23 countries. The selected 16 full papers and 4 short papers are included in this volume. The conference theme was "making business information systems interoperable and adaptive in highly interconnected and changing contexts". The papers have been organized in topical sections on business information systems interoperability, business information system requirements and architecture, business process and decision management, business information systems development, and research in progress.

Perspectives in Business Informatics Research: 15th International Conference, BIR 2016, Prague, Czech Republic, September 15–16, 2016, Proceedings (Lecture Notes in Business Information Processing #261)

by Václav Řepa Tomáš Bruckner

This book constitutes the proceedings of the 15th International Conference on Perspectives in Business Informatics Research, BIR 2016, held in Prague, Czech Republic, in September 2016. Overall, 61 submissions from 16 countries were rigorously reviewed by 42 members of the program committee representing 21 countries. The selected 21 full papers and 3 short papers are included in this volume together with 2 abstracts of invited talks. This year again, the papers presented at the conference cover many important aspects of the development, use, and application of management information systems. The papers have been organized in topical sections on Business Processes and Enterprise Modeling; Information Systems Development; Information Systems Management; Learning and Capability; and Data Analysis.

Perspectives in Business Informatics Research: 16th International Conference, BIR 2017, Copenhagen, Denmark, August 28–30, 2017, Proceedings (Lecture Notes in Business Information Processing #295)

by Björn Johansson, Charles Møller, Atanu Chaudhuri and Frantisek Sudzina

This book constitutes the proceedings of the 16th International Conference on Perspectives in Business Informatics Research, BIR 2017, held in Copenhagen, Denmark, in August 2017. This year the BIR conference attracted 59 submissions from 23 countries. They were reviewed by 45 members of the Program Committee, and as a result, 17 full papers and 3 short papers were selected for presentation at the conference and publication in this volume. They are organized in sections on enterprise architecture, business process management, business analytics, information systems applications, and information systems development. In addition, the summaries of the two conference keynotes are also included. This year, the conference theme was the digital transformation, which will impact most businesses, organizations and societies and call for new and radical approaches to how we adopt, use and manage IT.

Perspectives in Business Informatics Research: 17th International Conference, BIR 2018, Stockholm, Sweden, September 24-26, 2018, Proceedings (Lecture Notes in Business Information Processing #330)

by Selmin Nurcan Janis Stirna Jelena Zdravkovic Jānis Grabis

This book constitutes the proceedings of the 17th International Conference on Perspectives in Business Informatics Research, BIR 2018, held in Stockholm, Sweden, in September 2018. This year’s conference theme was “Business Resilience – Organizational and Information System Resilience in Congruence”. The 17 papers presented in this volume were carefully reviewed and selected from 50 submissions. The papers were organized in topical sections named: business, people and system resilience; resilient collaboration; digital transformation; information technology management; enterprise systems and data analytics; and business and information systems development.

Perspectives in Business Informatics Research: 18th International Conference, BIR 2019, Katowice, Poland, September 23–25, 2019, Proceedings (Lecture Notes in Business Information Processing #365)

by Kurt Sandkuhl Małgorzata Pańkowska

This book constitutes the proceedings of the 18th International Conference on Perspectives in Business Informatics Research, BIR 2019, held in Katowice, Poland, in September 2019. This year’s theme was: Responsibilities of Digitalization – Responsible designing and shaping of future technology for digital preservation, global data storage and cost-effective management. The 17 papers presented in this volume were carefully reviewed and selected from 74 submissions. This year the contributions focus on topics such as: responsibilities of digitalization; responsible designing and shaping the future of technology for digital preservation, global data storage and cost-effective management.

Perspectives in Business Informatics Research: 19th International Conference on Business Informatics Research, BIR 2020, Vienna, Austria, September 21–23, 2020, Proceedings (Lecture Notes in Business Information Processing #398)

by Björn Johansson Robert Andrei Buchmann Dimitris Karagiannis Andrea Polini

This book constitutes the proceedings of the 19th International Conference on Perspectives in Business Informatics Research, BIR 2020. The conference was initially planned to be held in Vienna, Austria, during September 2020. Due to the COVID-19 pandemic it was postponed to be held together with BIR 2021. The 14 papers presented in this volume were carefully reviewed and selected from 48 submissions. The papers were organized in topical sections as follows: Digital Transformation and Technology Acceptance; Multi-perspective Enterprise Models and Frameworks; Supporting Information Systems Development; Literature and Conceptual Analysis; and Value Creation and Value Management.

Perspectives in Business Informatics Research: 20th International Conference on Business Informatics Research, BIR 2021, Vienna, Austria, September 22–24, 2021, Proceedings (Lecture Notes in Business Information Processing #430)

by Björn Johansson Robert Andrei Buchmann Dimitris Karagiannis Andrea Polini

This book constitutes the proceedings of the 20th International Conference on Perspectives in Business Informatics Research, BIR 2021. The conference was held during September 22-24, 2021.The 16 papers presented in this volume were carefully reviewed and selected from 49 submissions. They were organized in topical sections as follows: Technology adoption and acceptance during COVID-19 times; conceptual modeling for enterprise systems; enterprise modeling methods and frameworks; compliance and normative challenges; and empirical investigations on digital innovation and transformation prerequisites.

Perspectives in Business Informatics Research: 21st International Conference on Business Informatics Research, BIR 2022, Rostock, Germany, September 21–23, 2022, Proceedings (Lecture Notes in Business Information Processing #462)

by Kurt Sandkuhl Ulf Seigerroth Ērika Nazaruka

This book constitutes the proceedings of the 21st International Conference on Perspectives in Business Informatics Research, BIR 2022, which took place in Rostock, Germany, in September 2022. The central theme of BIR 2022 was “Business Informatics for Sustainable Innovation”. Achieving sustainability requires a multi-perspective approach taking organizational, economic, and technical aspects into account. In a world of cloud computing, social networks and big data, additional challenges for business informatics and the design of information systems architectures are introduced. To deal with these challenges, a close cooperation of researchers from different disciplines such as information systems, business informatics, and computer science is required.The 14 papers presented in this volume were carefully reviewed and selected from 41 submissions. They were organized in topical sections as follows: Information system development; modeling methods and assistance; applications and technologies; and digital business.

Perspectives in Business Informatics Research: 22nd International Conference on Business Informatics Research, BIR 2023, Ascoli Piceno, Italy, September 13–15, 2023, Proceedings (Lecture Notes in Business Information Processing #493)

by Andrea Polini Knut Hinkelmann Francisco J. López-Pellicer

This book constitutes the proceedings of the 22nd International Conference on Perspectives in Business Informatics Research, BIR 2023, which took place in Ascoli Piceno, Italy, in September 2023. The 20 full and 4 short papers included in these proceedings were carefully reviewed and selected from 57 submissions. They cover different aspects of the discipline and are organized in sections on applied business informatics, ICT governance and management, AI applications and use cases in business, business and IS development, and new trends in data governance.

Perspectives in Business Informatics Research: 23rd International Conference on Business Informatics Research, BIR 2024, Prague, Czech Republic, September 11–13, 2024, Proceedings (Lecture Notes in Business Information Processing #529)

by Raimundas Matulevičius Václav Řepa Emanuele Laurenzi

This book constitutes the proceedings of the 23rd International Conference on Perspectives in Business Informatics Research, BIR 2024, which took place in Prague, Czech Republic, in September 2024. The central theme of BIR 2024 was “Artificial Intelligence (AI) in Business Informatics: Opportunities and Challenges”. The 15 full papers and 1 short paper included in these proceedings were carefully reviewed and selected from 43 submissions. They cover different aspects of the discipline and are organized in sections on AI opportunities and challenges; AI applications and use cases in business; business intelligence; business and information systems development; and knowledge and traceability management.

Perspectives in Computational Complexity

by Manindra Agrawal Vikraman Arvind

This book brings together contributions by leading researchers in computational complexity theory written in honor of Somenath Biswas on the occasion of his sixtieth birthday. They discuss current trends and exciting developments in this flourishing area of research and offer fresh perspectives on various aspects of complexity theory. The topics covered include arithmetic circuit complexity, lower bounds and polynomial identity testing, the isomorphism conjecture, space-bounded computation, graph isomorphism, resolution and proof complexity, entropy and randomness. Several chapters have a tutorial flavor. The aim is to make recent research in these topics accessible to graduate students and senior undergraduates in computer science and mathematics. It can also be useful as a resource for teaching advanced level courses in computational complexity.

Perspectives in Electronic Structure Theory

by Roman F. Nalewajski

The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.

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