Author(s): John R. Sabin, Michael C. Zerner, Erkki Brändas, S. Wilson, J. Maruani, Y.G. Smeyers, P.J. Grout and R. McWeeny (Eds.)
Series: Advances in Quantum Chemistry 31
Publisher: San Diego, Calif. [u.a.] Academic
Year: 1998
Language: English
Pages: ii-xix, 1-345
Content:
Advisory Editors
Page ii
Edited by
Page iii
Edited by
Page iv
Contributors Volume 31
Pages vii-viii
Contributors Volume 32
Pages xi-xiii
Preface
Pages xv-xvi
S. Wilson
Workshop Participants
Pages xvii-xix
Quantum Systems in Chemistry and Physics: Some Hopes and Fears Original Research Article
Pages 1-13
B.T. Sutcliffe
Separability of Quantum Systems: A Density Matrix Approach Original Research Article
Pages 15-35
Roy McWeeny
The first order contracted density equations: correlation effects. Original Research Article
Pages 37-52
C. Valdemoro, M.P. de Lara-Castells, E. Pérez-Romero, L.M. Tel
A Consistent Calculation of Atomic Energy Shell Corrections Strutinsky's Method in the Hartree-Fock-Roothaan Scheme Original Research Article
Pages 53-73
Ya.I. Delchev, A.I. Kuleff, Jean Maruani, R.L. Pavlov
Multireference Brillouin-Wigner Coupled-Cluster Theory. Single-root approach. Original Research Article
Pages 75-104
Jozef Mášik, Ivan Hubač
The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets Original Research Article
Pages 105-135
Tanja Van Mourik, Angela K. Wilson, Kirk A. Peterson, David E. Woon, Thom H. Dunning Jr.
Role of electron correlation in nonadditive forces and ab initio model potentials for small metal clusters Original Research Article
Pages 137-156
I.G. Kaplan
Distributed Gaussian basis sets in correlation energy studies: the second order correlation energy for the ground state of the hydrogen molecule Original Research Article
Pages 157-172
D. Moncrieff, S. Wilson
Explicitly Correlated Functions in Molecular Quantum Chemistry Original Research Article
Pages 173-199
Jacek Rychlewski
Many-Electron Sturmians as an Alternative to the SCF-CI Method Original Research Article
Pages 201-229
John Avery
A study of weakly interacting systems in localized representation, including the many-body effect Original Research Article
Pages 231-250
Cornelia Kozmutza, Ernö Tfirst
Extension of the SCF-MI Method to the Case of K Fragments one of which is an Open-Shell System. Original Research Article
Pages 251-266
E. Gianinetti, I. Vandoni, A. Famulari, M. Raimondi
Parallelization of the CI Program PEDICI Original Research Article
Pages 267-282
Thorstein Thorsteinsson, Sten Rettrup
On the convergence of the many-body perturbation theory second-order energy component for negative ions using systematically constructed basis sets of primitive Gaussian-type functions Original Research Article
Pages 283-311
A.S. Shalabi, S. Wilson
High-Accuracy Calculations for Heavy and Super-Heavy Elements Original Research Article
Pages 313-336
Uzi Kaldor, Ephraim Eliav
Index
Pages 337-345
