Lecture Notes in Quantum Chemistry
Title | Lecture Notes in Quantum Chemistry PDF eBook |
Author | Björn O. Roos |
Publisher | Springer Science & Business Media |
Pages | 417 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 3642581501 |
"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj|rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method
Lecture Notes in Quantum Chemistry II
Title | Lecture Notes in Quantum Chemistry II PDF eBook |
Author | Björn O. Roos |
Publisher | Springer Science & Business Media |
Pages | 342 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 364257890X |
The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 • Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.
Lecture Notes in Quantum Chemistry II
Title | Lecture Notes in Quantum Chemistry II PDF eBook |
Author | Björn O. Roos |
Publisher | Springer Verlag |
Pages | 340 |
Release | 1994-01-01 |
Genre | Science |
ISBN | 9780387586205 |
Monte Carlo Methods In Ab Initio Quantum Chemistry
Title | Monte Carlo Methods In Ab Initio Quantum Chemistry PDF eBook |
Author | Brian L Hammond |
Publisher | World Scientific |
Pages | 320 |
Release | 1994-03-29 |
Genre | Science |
ISBN | 9814506753 |
This book presents the basic theory and application of the Monte Carlo method to the electronic structure of atoms and molecules. It assumes no previous knowledge of the subject, only a knowledge of molecular quantum mechanics at the first-year graduate level. A working knowledge of traditional ab initio quantum chemistry is helpful, but not essential.Some distinguishing features of this book are:
Lectures on Quantum Mechanics
Title | Lectures on Quantum Mechanics PDF eBook |
Author | Steven Weinberg |
Publisher | Cambridge University Press |
Pages | 379 |
Release | 2013 |
Genre | Science |
ISBN | 1107028728 |
"Ideally suited to a one-year graduate course, this textbook is also a useful reference for researchers. Readers are introduced to the subject through a review of the history of quantum mechanics and an account of classic solutions of the Schr.
Many-Body Methods in Quantum Chemistry
Title | Many-Body Methods in Quantum Chemistry PDF eBook |
Author | Uzi Kaldor |
Publisher | Springer Science & Business Media |
Pages | 354 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 3642934242 |
The present volume contains the text of the invited lectures presented at the Symposium on Many Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988. The Symposium was a satellite meeting of the Sixth International Congress on Quantum Chemistry held in Jerusalem. The development and application of many-body methods in Quantum chemistry have been on the rise for a number of years. This is therefore a good time for an interim report on the state of the field. It is hoped that such a report is hereby provided, though it may not be complete. The Symposium was held under the auspices of Tel Aviv University, Raymond and Beverly Sackler Faculty of Exact Sciences, School of Chemistry. Other sponsors were the Israeli Academy of Sciences and Humanities, and the Israeli Ministry of Science and Development. Many thanks go to all of them. Finally, I would like to thank all the speakers and participants for making the meeting the enjoyable and (I hope) profitable experience it was. Tel Aviv, Israel Uzi Kaldor TESTS AND APPLICATIONS OF COMPLETE MODEL SPACE QUASIDEGENERATE MANY-BODY PERTURBATION THEORY FOR MOLECULES Karl F. Freed The James Franck Institute and Department of Chemistry The University of Chicago, Chicago, DUnois 60637 U.S.A.
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
Title | Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials PDF eBook |
Author | Cesare Pisani |
Publisher | Springer Science & Business Media |
Pages | 331 |
Release | 2012-12-06 |
Genre | Science |
ISBN | 3642614787 |
A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.