عنوان

Lecture Notes in Quantum Chemistry II :

(Number (ISBN

364257890X

(Number (ISBN

9783642578908

Number

b570868

Title Proper

Lecture Notes in Quantum Chemistry II :

General Material Designation

[Book]

Other Title Information

European Summer School in Quantum Chemistry

First Statement of Responsibility

edited by Björn O. Roos.

Place of Publication, Distribution, etc.

Berlin, Heidelberg

Name of Publisher, Distributor, etc.

Springer Berlin Heidelberg : Imprint: Springer

Date of Publication, Distribution, etc.

1994

Specific Material Designation and Extent of Item

(VIII, 344 p. 4 illus.).

Series Title

Lecture notes in chemistry, 64.

Text of Note

Bibliographic Level Mode of Issuance: Monograph.

Text of Note

Notes on Hartree-Fock Theory and Related Topics --; Density Functional Theory --; Coupled-cluster Methods in Quantum Chemistry --; Methods of Relativistic Quantum Chemistry --; Exercises with Solutions.

Text of Note

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.

Chemistry, Organic.

Chemistry, Physical and theoretical.

Chemistry.

Class number

Book number

edited by Björn O. Roos.

Björn O Roos

Electronic name

[Book]

Y