Integral processing in beyond-Hartree-Fock calculations
نویسندگان
چکیده
منابع مشابه
To Study Cheim I C*=»l_ Reactions "i Ini -ftotv — Bow Rshjock Special Note to Printer on Ms "integral Processing in Beyond-hartree-fock Calcu- Lations, Integral Processing in Beyond-hartree-fock Calculations
The increasing rate at which improvements in processing capacity outstrip improvements in input/output performance of large computers has led to recent attempts to bypass generation of a disk-based integral file. The "direct" SCF method of Almlof and co-workers represents a very successful implementation of this approach. -The present work is concerned with the extension of this general approac...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 1987
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.560310322