Volume 72, Issue 2 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

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Volume 72, Issue 2

September 1987

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5 articles in this issue

Generalization of analytic energy derivatives for configuration interaction wave functions
Yoshihiro Osamura
Yukio Yamaguchi
Henry F. Schaefer III
OriginalPaper Pages: 71 - 91
Correspondence between higher order energy derivative formalisms for restricted Hartree-Fock and correlated wavefunctions
Yoshihiro Osamura
Yukio Yamaguchi
Henry F. Schaefer III
OriginalPaper Pages: 93 - 122
A data-oriented CI program system
F. Sasaki
K. Tanaka
K. Ohno
OriginalPaper Pages: 123 - 138
A parallel architecture and programming language for quantum chemistry
James R. Savage
OriginalPaper Pages: 139 - 148
Strategies to vectorize conventional SCF-Cl algorithms
Nobuhiro Kosugi
OriginalPaper Pages: 149 - 173