Modern Quantum Chemistry

Modern Quantum Chemistry
Author: Attila Szabo
Publisher: Courier Corporation
Total Pages: 484
Release: 2012-06-08
Genre: Science
ISBN: 0486134598

This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Modern Quantum Chemistry

Modern Quantum Chemistry
Author: Attila Szabo
Publisher: Courier Corporation
Total Pages: 484
Release: 1996-07-02
Genre: Science
ISBN: 0486691861

This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Reviews of Modern Quantum Chemistry

Reviews of Modern Quantum Chemistry
Author: Kali Das Sen
Publisher: World Scientific
Total Pages: 1882
Release: 2002
Genre: Science
ISBN: 9812775706

This important book collects together stateOCoofOCotheOCoart reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry OCo synthesis, structure, reactivity and dynamics OCo is mainly on control . A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new era of modern quantum chemistry throws up promising potentialities for further research. Reviews of Modern Quantum Chemistry is a joint endeavor, in which renowned scientists from leading universities and research laboratories spanning 22 countries present 59 inOCodepth reviews. Along with a personal introduction written by Professor Walter Kohn, Nobel laureate (Chemistry, 1998), the articles celebrate the scientific contributions of Professor Robert G Parr on the occasion of his 80th birthday. List of Contributors: W Kohn, M Levy, R Pariser, B R Judd, E Lo, B N Plakhutin, A Savin, P Politzer, P Lane, J S Murray, A J Thakkar, S R Gadre, R F Nalewajski, K Jug, M Randic, G Del Re, U Kaldor, E Eliav, A Landau, M Ehara, M Ishida, K Toyota, H Nakatsuji, G Maroulis, A M Mebel, S Mahapatra, R CarbOCoDorca, u Nagy, I A Howard, N H March, SOCoB Liu, R G Pearson, N Watanabe, S TenOCono, S Iwata, Y Udagawa, E Valderrama, X Fradera, I Silanes, J M Ugalde, R J Boyd, E V Ludea, V V Karasiev, L Massa, T Tsuneda, K Hirao, J-M Tao, J P Perdew, O V Gritsenko, M Grning, E J Baerends, F Aparicio, J Garza, A Cedillo, M Galvin, R Vargas, E Engel, A HAck, R N Schmid, R M Dreizler, J Poater, M Sola, M Duran, J Robles, X Fradera, P K Chattaraj, A Poddar, B Maiti, A Cedillo, S Guti(r)rrezOCoOliva, P Jaque, A ToroOCoLabb(r), H Chermette, P Boulet, S Portmann, P Fuentealba, R Contreras, P Geerlings, F De Proft, R Balawender, D P Chong, A Vela, G Merino, F Kootstra, P L de Boeij, R van Leeuwen, J G Snijders, N T Maitra, K Burke, H Appel, E K U Gross, M K Harbola, H F Hameka, C A Daul, I Ciofini, A Bencini, S K Ghosh, A Tachibana, J M CabreraOCoTrujillo, F Tenorio, O Mayorga, M Cases, V Kumar, Y Kawazoe, A M KAster, P Calaminici, Z Gmez, U Reveles, J A Alonso, L M Molina, M J Lpez, F Dugue, A Maanes, C A Fahlstrom, J A Nichols, D A Dixon, P A Derosa, A G Zacarias, J M Seminario, D G Kanhere, A Vichare, S A Blundell, ZOCoY Lu, HOCoY Liu, M Elstner, WOCoT Yang, J Muoz, X Fradera, M Orozco, F J Luque, P Tarakeshwar, H M Lee, K S Kim, M Valiev, E J Bylaska, A Gramada, J H Weare, J Brickmann, M Keil, T E Exner, M Hoffmann & J Rychlewski. Contents: Volume I: Applications of the Automorphisms of SO(8) to the Atomic f Shell (B R Judd & E Lo); Probability Distributions and Valence Shells in Atoms (A Savin); Information Theoretical Approaches to Quantum Chemistry (S R Gadre); Quantum Chemical Justification for Clar''s Valence Structures (M Randic); Functional Expansion Approach in Density Functional Theory (S-B Liu); Normconserving Pseudopotentials for the Exact Exchange Functional (E Engel et al.); Volume II: Chemical Reactivity and Dynamics within a Density-based Quantum Mechanical Framework (P K Chattaraj et al.); Fukui Functions and Local Softness (H Chermette et al.); The Nuclear Fukui Function (P Geerlings et al.); Causality in Time-Dependent Density-Functional Theory (M K Harbola); Theoretical Studies of Molecular Magnetism (H F Hameka); Melting in Finite-Sized Systems (D G Kanhere et al.); Density Functional Theory (DFT) and Drug Design (M Hoffmann & J Rychlewski); and other papers. Readership: Researchers and academics in computational, physical, fullerene, industrial, polymer, solid state and theoretical/quantum chemistry; nanoscience, superconductivity & magnetic materials, surface science; atomic, computational and condensed matter physics; and thermodynamics."

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry
Author: David B. Cook
Publisher: Courier Corporation
Total Pages: 852
Release: 2005-08-02
Genre: Science
ISBN: 0486443078

This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

A Textbook on Modern Quantum Mechanics

A Textbook on Modern Quantum Mechanics
Author: A C Sharma
Publisher: CRC Press
Total Pages: 447
Release: 2021-07-29
Genre: Science
ISBN: 100042135X

Over the course of the past two to three decades, new tools of presentation and mathematical treatment have emerged and the subject matter of quantum mechanics has gone through significant changes. A Textbook on Modern Quantum Mechanics presents the selected elementary, intermediate, and advance topics with rejuvenated approach to the subject matter. Newly merged topics from contemporary physics and chemistry are included in the text as well as solved examples. The book covers: (i) fundamental discoveries that are the foundation of modern quantum mechanics; (ii) solution of Schrödinger’s wave equation for 1D problems and their importance; (iii) matrix and vector formulation of quantum mechanics; (iv) transformations, symmetries, and conservation laws; (v) angular and spin momenta; (vi) solution of Schrödinger equation for central potentials; (vii) time-independent perturbation theory, variational method and WKB approximation; (viii) quantum theory of scattering; (xi) many-particle systems and their quantum mechanical treatments; (x) time-dependent perturbations and the interaction of fields with matter; (xi) relativistic quantum mechanics; and (xii) quantization of fields and the second quantization. Key Features: It provides everything a student needs to know for succeeding at all levels of the undergraduate and graduate studies. It covers most of the topics that are taught under (a) elementary, (b) intermediate, and (c) advance courses of quantum mechanics at universities and colleges. It has detailed and elegant mathematical treatment with contemporary style of interpretation and presentation in simple English. Solved examples and unsolved exercises that are part of each chapter to consolidate the readers' understanding of fundamental concepts. The subject matter of the book is well tested on the students taught by the author over a period of 30 years. This is a valuable textbook for students pursuing Bachelor of Science, Master of Science, and Doctor of Philosophy (PhD) degrees in the subjects of Physics, Chemistry, and materials science in India, South Asian countries, the United States, and Europe.

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
Author: Linus Pauling
Publisher: Courier Corporation
Total Pages: 500
Release: 2012-06-08
Genre: Science
ISBN: 0486134938

Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Problems and Solutions in Quantum Chemistry and Physics

Problems and Solutions in Quantum Chemistry and Physics
Author: Charles S. Johnson
Publisher: Courier Corporation
Total Pages: 750
Release: 2013-01-18
Genre: Science
ISBN: 0486151530

Unusually varied problems, with detailed solutions, cover quantum mechanics, wave mechanics, angular momentum, molecular spectroscopy, scattering theory, more. 280 problems, plus 139 supplementary exercises.

Quantum Theory for Chemical Applications

Quantum Theory for Chemical Applications
Author: Jochen Autschbach
Publisher: Oxford University Press, USA
Total Pages: 756
Release: 2020-09-17
Genre: Science
ISBN: 0190920807

"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--

Modern Quantum Mechanics

Modern Quantum Mechanics
Author: J. J. Sakurai
Publisher: Cambridge University Press
Total Pages: 571
Release: 2020-09-17
Genre: Science
ISBN: 1108473229

A comprehensive and engaging textbook, providing a graduate-level, non-historical, modern introduction of quantum mechanical concepts.