E-Book, Englisch, 428 Seiten, Web PDF
Goodisman / Loebl Diatomic Interaction Potential Theory
1. Auflage 2013
ISBN: 978-1-4831-9164-5
Verlag: Elsevier Science & Techn.
Format: PDF
Kopierschutz: 1 - PDF Watermark
Applications
E-Book, Englisch, 428 Seiten, Web PDF
ISBN: 978-1-4831-9164-5
Verlag: Elsevier Science & Techn.
Format: PDF
Kopierschutz: 1 - PDF Watermark
Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes described here have been the most used of all the methods. Semiempirical theories and methods constitute the subject of the last chapter. The book will be of value to physicists and students of physics.
Autoren/Hrsg.
Weitere Infos & Material
1;Front Cover;1
2;Applications
;4
3;Copyright Page ;5
4;Table of Contents;6
5;Preface;8
6;Notes on Notation and Coordinate Systems;10
7;Contents of Volume 1;14
8;Chapter 1. Large and Small Distances;18
8.1;A. Very Large R;18
8.2;B. Large R;81
8.3;C. United Atom Methods;134
8.4;Supplementary Bibliography;153
9;Chapter 2. Intermediate R;156
9.1;A. Single Determinant Wave Functions;157
9.2;B. Multideterminant Wave Functions;201
9.3;C. U(R) Derived from Calculations;224
9.4;Supplementary Bibliography;307
10;Chapter 3. Semiempirical Calculations and Simple Models;310
10.1;A. Semiempirical Calculations;311
10.2;B. Simple Models and Relations between Potential Constants;364
10.3;Supplementary Bibliography;407
11;General Bibliography;409
11.1;1. Basic Texts in Quantum Chemistry;409
11.2;2. Books Discussing the Calculation of U(R);410
11.3;3. Bibliographies of Calculations;410
11.4;4. Reviews of the Literature;411
12;Author Index;412
13;Subject Index;423
