Coverart for item
The Resource Low-lying potential energy surfaces, Mark R. Hoffmann, editor, Kenneth G. Dyall, editor

Low-lying potential energy surfaces, Mark R. Hoffmann, editor, Kenneth G. Dyall, editor

Label
Low-lying potential energy surfaces
Title
Low-lying potential energy surfaces
Statement of responsibility
Mark R. Hoffmann, editor, Kenneth G. Dyall, editor
Contributor
Subject
Genre
Language
eng
Member of
Cataloging source
DLC
Dewey number
541.2/8
Illustrations
illustrations
Index
index present
LC call number
QD462.6.P64
LC item number
L68 2002
Literary form
non fiction
NAL call number
QD1
NAL item number
.A45 no.828
Nature of contents
bibliography
http://library.link/vocab/relatedWorkOrContributorDate
  • 1958-
  • 1955-
  • 2001 :
http://library.link/vocab/relatedWorkOrContributorName
  • Hoffmann, Mark R.
  • Dyall, Kenneth G.
  • American Chemical Society
  • American Chemical Society
Series statement
ACS symposium series
Series volume
828
http://library.link/vocab/subjectName
Potential energy surfaces
Label
Low-lying potential energy surfaces, Mark R. Hoffmann, editor, Kenneth G. Dyall, editor
Instantiates
Publication
Bibliography note
Includes bibliographical references and indexes
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • State-specific multireference coupled cluster-based methods for potential energy surfaces and their approximate variants
  • Sudip Chattopadhyay ... [et al.]
  • Excited and ion states of allene
  • Rajat K. Chaudhuri, Karl F. Freed, and Davin M. Potts
  • Hamiltonian matrix elements for the table-CI method using genealogical configuration state functions
  • Yuriy G. Khait and Mark R. Hoffmann
  • Jacob's ladder for time-dependent density-function theory
  • Mark E. Casida
  • Spectral theory of chemical bonding
  • P.W. Langhoff ... [et al.]
  • Simultaneous account of dynamic and nondynamic correlations based on complementarity of CI and CC approaches
  • Comparison of CaF, ZnF, CaO, and ZnO
  • J.F. Harrison, R.W. Field, and C.C. Jarrold
  • X1(2[pi]3/2) and X2(2[pi]1/2) potentials of the halogen monoxides
  • Charles E. Miller
  • Symmetry in spin-orbit coupling
  • Dmitri G. Fedorov and Mark S. Gordon
  • Non-adiabatic bending dissociation of OCS induced by orbital unlocking
  • Toshinori Suzuki and Shinkoh Nanbu
  • Electronic structure and dynamics in the O4 system
  • Ramón Hernández Lamoneda
  • Xiangzhu Li and Josef Paldus
  • Model studies of intersystem crossing effects in the O + H2 reaction
  • Mark R. Hoffmann and George C. Schatz
  • Challenge of high-resolution dynamics
  • Joel M. Bowman ... [et al.]
  • Spectroscopic determination of potential energy surfaces for the out-of-plane ring vibrations of indan and related molecules in their S0 and S1([pi], [pi*]) states
  • J. Laane ... [et al.]
  • Semiclassical time evolution in the forward-backward stationary-phase limit
  • Nancy Makri and Jiushu Shao
  • Development and application of an ab initio methand-water potential for the study of phase equilibria of methane hydrates
  • Zhitao Cao ... [et al.]
  • Method of moments of coupled-cluster equations
  • Piotr Piecuch ... [et al.]
  • Photoelectron spectrum of the NO3 radical revisited
  • Mark Wladyslawski and Marcel Noojen
  • Coupled cluster methods for bond-breaking
  • Martin Head-Gordon ... [et al.]
Control code
49350962
Dimensions
24 cm
Extent
473 pages
Isbn
9780841237926
Isbn Type
(alk. paper)
Lccn
2002018582
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations
Label
Low-lying potential energy surfaces, Mark R. Hoffmann, editor, Kenneth G. Dyall, editor
Publication
Bibliography note
Includes bibliographical references and indexes
Carrier category
volume
Carrier category code
  • nc
Carrier MARC source
rdacarrier
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
Contents
  • State-specific multireference coupled cluster-based methods for potential energy surfaces and their approximate variants
  • Sudip Chattopadhyay ... [et al.]
  • Excited and ion states of allene
  • Rajat K. Chaudhuri, Karl F. Freed, and Davin M. Potts
  • Hamiltonian matrix elements for the table-CI method using genealogical configuration state functions
  • Yuriy G. Khait and Mark R. Hoffmann
  • Jacob's ladder for time-dependent density-function theory
  • Mark E. Casida
  • Spectral theory of chemical bonding
  • P.W. Langhoff ... [et al.]
  • Simultaneous account of dynamic and nondynamic correlations based on complementarity of CI and CC approaches
  • Comparison of CaF, ZnF, CaO, and ZnO
  • J.F. Harrison, R.W. Field, and C.C. Jarrold
  • X1(2[pi]3/2) and X2(2[pi]1/2) potentials of the halogen monoxides
  • Charles E. Miller
  • Symmetry in spin-orbit coupling
  • Dmitri G. Fedorov and Mark S. Gordon
  • Non-adiabatic bending dissociation of OCS induced by orbital unlocking
  • Toshinori Suzuki and Shinkoh Nanbu
  • Electronic structure and dynamics in the O4 system
  • Ramón Hernández Lamoneda
  • Xiangzhu Li and Josef Paldus
  • Model studies of intersystem crossing effects in the O + H2 reaction
  • Mark R. Hoffmann and George C. Schatz
  • Challenge of high-resolution dynamics
  • Joel M. Bowman ... [et al.]
  • Spectroscopic determination of potential energy surfaces for the out-of-plane ring vibrations of indan and related molecules in their S0 and S1([pi], [pi*]) states
  • J. Laane ... [et al.]
  • Semiclassical time evolution in the forward-backward stationary-phase limit
  • Nancy Makri and Jiushu Shao
  • Development and application of an ab initio methand-water potential for the study of phase equilibria of methane hydrates
  • Zhitao Cao ... [et al.]
  • Method of moments of coupled-cluster equations
  • Piotr Piecuch ... [et al.]
  • Photoelectron spectrum of the NO3 radical revisited
  • Mark Wladyslawski and Marcel Noojen
  • Coupled cluster methods for bond-breaking
  • Martin Head-Gordon ... [et al.]
Control code
49350962
Dimensions
24 cm
Extent
473 pages
Isbn
9780841237926
Isbn Type
(alk. paper)
Lccn
2002018582
Media category
unmediated
Media MARC source
rdamedia
Media type code
  • n
Other physical details
illustrations

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