The Resource New methods in computational quantum mechanics, edited by I. Prigogine and Stuart A. Rice, (electronic resource)

New methods in computational quantum mechanics, edited by I. Prigogine and Stuart A. Rice, (electronic resource)

Label
New methods in computational quantum mechanics
Title
New methods in computational quantum mechanics
Statement of responsibility
edited by I. Prigogine and Stuart A. Rice
Contributor
Subject
Genre
Language
  • eng
  • eng
Summary
The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties efficiently. These advances have been sufficient to make quantum chemical calculations a reliable tool for the quantitative interpretation of chemical phenomena and a guide to laboratory experiments. However, the success of these recent developments in computa
Member of
Cataloging source
MiAaPQ
Dewey number
  • 539
  • 541.305
  • 541/.08
Illustrations
illustrations
Index
index present
Language note
English
LC call number
QD462.6.M39
LC item number
N49 1996
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorDate
1932-
http://library.link/vocab/relatedWorkOrContributorName
  • Prigogine, I.
  • Rice, Stuart Alan
Series statement
Advances in chemical physics
Series volume
v. 93
http://library.link/vocab/subjectName
  • Chemistry
  • Quantum chemistry
Label
New methods in computational quantum mechanics, edited by I. Prigogine and Stuart A. Rice, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and indexes
Carrier category
online resource
Carrier category code
cr
Content category
text
Content type code
txt
Contents
  • Advances in CHEMICAL PHYSICS; CONTENTS; QUANTUM MONTE CARLO METHODS IN CHEMISTRY; MONTE CARL0 METHODS FOR REAL-TIME PATH INTEGRATION; THE REDFIELD EQUATION IN CONDENSED-PHASE QUANTUM DYNAMICS; PATH-INTEGRAL CENTROID METHODS IN QUANTUM STATISTICAL MECHANICS AND DYNAMICS; MULTICONFIGURATIONAL PERTURBATION THEORY : APPLICATIONS IN ELECTRONIC SPECTROSCOPY; ELECTRONIC STRUCTURE CALCULATIONS FOR MOLECULES CONTAINING TRANSITION METALS; THE INTERFACE BETWEEN ELECTRONIC STRUCTURE THEORY AND REACTION DYNAMICS BY REACTION PATH METHODS; ALGEBRAIC MODELS IN MOLECULAR SPECTROSCOPY
  • TIGHT-BINDING MOLECULAR DYNAMICS STUDIES OF COVALENT SYSTEMSPERSPECTIVES ON: SEMIEMPIRICAL MOLECULAR ORBITAL THEORY; AUTHOR INDEX; SUBJECT INDEX
Dimensions
unknown
Extent
1 online resource (829 p.)
Form of item
online
Isbn
9786612682049
Media category
computer
Media type code
c
Specific material designation
remote
System control number
  • (CKB)1000000000376720
  • (EBL)455936
  • (OCoLC)609844632
  • (SSID)ssj0000432908
  • (PQKBManifestationID)11267658
  • (PQKBTitleCode)TC0000432908
  • (PQKBWorkID)10376207
  • (PQKB)11763572
  • (MiAaPQ)EBC455936
  • (EXLCZ)991000000000376720
Label
New methods in computational quantum mechanics, edited by I. Prigogine and Stuart A. Rice, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes bibliographical references and indexes
Carrier category
online resource
Carrier category code
cr
Content category
text
Content type code
txt
Contents
  • Advances in CHEMICAL PHYSICS; CONTENTS; QUANTUM MONTE CARLO METHODS IN CHEMISTRY; MONTE CARL0 METHODS FOR REAL-TIME PATH INTEGRATION; THE REDFIELD EQUATION IN CONDENSED-PHASE QUANTUM DYNAMICS; PATH-INTEGRAL CENTROID METHODS IN QUANTUM STATISTICAL MECHANICS AND DYNAMICS; MULTICONFIGURATIONAL PERTURBATION THEORY : APPLICATIONS IN ELECTRONIC SPECTROSCOPY; ELECTRONIC STRUCTURE CALCULATIONS FOR MOLECULES CONTAINING TRANSITION METALS; THE INTERFACE BETWEEN ELECTRONIC STRUCTURE THEORY AND REACTION DYNAMICS BY REACTION PATH METHODS; ALGEBRAIC MODELS IN MOLECULAR SPECTROSCOPY
  • TIGHT-BINDING MOLECULAR DYNAMICS STUDIES OF COVALENT SYSTEMSPERSPECTIVES ON: SEMIEMPIRICAL MOLECULAR ORBITAL THEORY; AUTHOR INDEX; SUBJECT INDEX
Dimensions
unknown
Extent
1 online resource (829 p.)
Form of item
online
Isbn
9786612682049
Media category
computer
Media type code
c
Specific material designation
remote
System control number
  • (CKB)1000000000376720
  • (EBL)455936
  • (OCoLC)609844632
  • (SSID)ssj0000432908
  • (PQKBManifestationID)11267658
  • (PQKBTitleCode)TC0000432908
  • (PQKBWorkID)10376207
  • (PQKB)11763572
  • (MiAaPQ)EBC455936
  • (EXLCZ)991000000000376720

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