Modern electronic structure theory. Part II /
Modern electronic structure theory. Part II /
editor, David R. Yarkony.
- Singapore : World Scientific, 1995.
- 1 online resource.
- Advanced series in physical chemistry ; v. 2 .
- Advanced series in physical chemistry ; v. 2. .
Includes bibliographical references and index.
12. Gaussian basis sets and molecular integrals / Trygve Helgaker and Peter R. Taylor -- 13. Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions / Jeppe Olsen and Poul Jørgensen -- 14. Evaluation of bond energies to chemical accuracy by quantum chemical techniques / Krishnan Raghavachari and Larry A. Curtiss -- 15. Exchange-correlation approximations in density-functional theory / Axel D. Becke -- 16. Coupled-cluster theory: an overview of recent developments / Rodney J. Bartlett -- 17. Pseudospectral methods applied to the electron correlation problem / Todd J. Martinez and Emily A. Carter -- 18. Quasidegenerate perturbation theory using effective Hamiltonians / Mark R. Hoffmann -- 19. Analytical derivative techniques and the calculation of vibrational spectra / Peter Pulay -- 20. Applications of molecular structure methods to problems in astrochemistry / Kate P. Kirby -- 21. The application of ab initio electronic structure calculations to molecules containing transition metal atoms / Charles W. Bauschlicher, Jr., Stephen R. Langhoff and Harry Partridge -- 22. Studies of electron-molecule collisions on massively parallel computers / Carl Winstead and Vincent McKoy.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
9789812832115 (electronic bk.) 9812832114 (electronic bk.) 1299633250 (electronic bk.) 9781299633254 (electronic bk.)
Atomic theory.
Théorie atomique.
SCIENCE--Chemistry--Physical & Theoretical.
Atomic theory.
Electronic books.
Electronic books.
QD461
541.28
Includes bibliographical references and index.
12. Gaussian basis sets and molecular integrals / Trygve Helgaker and Peter R. Taylor -- 13. Time-dependent response theory with applications to self-consistent field and multiconfigurational self-consistent field wave functions / Jeppe Olsen and Poul Jørgensen -- 14. Evaluation of bond energies to chemical accuracy by quantum chemical techniques / Krishnan Raghavachari and Larry A. Curtiss -- 15. Exchange-correlation approximations in density-functional theory / Axel D. Becke -- 16. Coupled-cluster theory: an overview of recent developments / Rodney J. Bartlett -- 17. Pseudospectral methods applied to the electron correlation problem / Todd J. Martinez and Emily A. Carter -- 18. Quasidegenerate perturbation theory using effective Hamiltonians / Mark R. Hoffmann -- 19. Analytical derivative techniques and the calculation of vibrational spectra / Peter Pulay -- 20. Applications of molecular structure methods to problems in astrochemistry / Kate P. Kirby -- 21. The application of ab initio electronic structure calculations to molecules containing transition metal atoms / Charles W. Bauschlicher, Jr., Stephen R. Langhoff and Harry Partridge -- 22. Studies of electron-molecule collisions on massively parallel computers / Carl Winstead and Vincent McKoy.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
9789812832115 (electronic bk.) 9812832114 (electronic bk.) 1299633250 (electronic bk.) 9781299633254 (electronic bk.)
Atomic theory.
Théorie atomique.
SCIENCE--Chemistry--Physical & Theoretical.
Atomic theory.
Electronic books.
Electronic books.
QD461
541.28