The Resource Monte Carlo methods in ab initio quantum chemistry, B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds

Monte Carlo methods in ab initio quantum chemistry, B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds

Label
Monte Carlo methods in ab initio quantum chemistry
Title
Monte Carlo methods in ab initio quantum chemistry
Statement of responsibility
B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds
Creator
Contributor
Subject
Language
eng
Summary
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: Clear exposition of the basic theory at a level to facilitate independent study. Discussion of the various versions of the theory: diffusion Monte Carlo, Green's function Monte Carlo, and release n
Member of
Cataloging source
N$T
Dewey number
541.2/8/01519282
Illustrations
illustrations
Index
no index present
LC call number
QD462
LC item number
.H29 1994eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
Series statement
World scientific lecture and course notes in chemistry
Series volume
v. 1
Label
Monte Carlo methods in ab initio quantum chemistry, B.L. Hammond, W.A. Lester, Jr., P.J. Reynolds
Publication
Antecedent source
unknown
Bibliography note
Includes bibliographical references (pages 287-304)
http://library.link/vocab/branchCode
  • net
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
1. Introduction to Monte Carlo Methods -- 2. Variational Methods -- 3. Green's Function Methods -- 4. Treating Fermions -- 5. Variational Trial Functions -- 6. Excited States -- 7. Electronic Properties -- 8. Derivatives and Finite Differences -- 9. Heavy Atoms -- A: Atomic Units -- B: Evaluating the Trial Function -- C: Sample Diffusion Monte Carlo Program
Control code
ocn842919972
Dimensions
unknown
Extent
1 online resource (xiv, 304 pages)
File format
unknown
Form of item
online
Isbn
9789814317245
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other physical details
illustrations
Quality assurance targets
not applicable
http://library.link/vocab/recordID
.b36436562
Reformatting quality
unknown
Sound
unknown sound
Specific material designation
remote
System control number
  • (OCoLC)842919972
  • ebsco9814317241

Library Locations

    • Deakin University Library - Geelong Waurn Ponds CampusBorrow it
      75 Pigdons Road, Waurn Ponds, Victoria, 3216, AU
      -38.195656 144.304955
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