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Monte Carlo Methods In Ab Initio Quantum Chemistry

Buch | Hardcover
320 Seiten
1994
World Scientific Publishing Co Pte Ltd (Verlag)
978-981-02-0321-4 (ISBN)
124,70 inkl. MwSt
Presents the basic theory and applications 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.
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:

Review of ab initio quantum chemistry; introduction to Monte Carlo methods; the variational Monte Carlo method; quantum Monte Carlo; exact Green's function methods; released node methods; excited states; properties other than energy; determination of interaction potentials, stationary geometries, energy derivatives; valence-electron and acceleration methods.

Erscheint lt. Verlag 1.3.1994
Reihe/Serie World Scientific Lecture And Course Notes In Chemistry ; 1
Verlagsort Singapore
Sprache englisch
Themenwelt Naturwissenschaften Chemie Physikalische Chemie
ISBN-10 981-02-0321-7 / 9810203217
ISBN-13 978-981-02-0321-4 / 9789810203214
Zustand Neuware
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