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On the use of explicitly correlated functions in variational computations for small molecules
Author(s) -
Rychlewski Jacek
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560490412
Subject(s) - wave function , computation , statistical physics , computational chemistry , molecule , physics , mathematics , quantum mechanics , chemistry , algorithm
The explicitly correlated wave functions used in variational molecular calculations are reviewed. Different types of such functions are considered. The state of art and future perspectives are briefly discussed. © 1994 John Wiley & Sons, Inc.
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