Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method
2013 ◽
Vol 138
(16)
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pp. 164120
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2013 ◽
Vol 138
(16)
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pp. 164119
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2014 ◽
Vol 141
(19)
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pp. 194113
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2014 ◽
Vol 141
(13)
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pp. 134118
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2002 ◽
Vol 01
(01)
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pp. 137-151
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Keyword(s):
1950 ◽
Vol 200
(1062)
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pp. 390-401
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1998 ◽
Vol 67
(5)
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pp. 287-297
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1972 ◽
Vol 57
(1)
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pp. 252-270
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Keyword(s):
1972 ◽
Vol 57
(1)
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pp. 238-251
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Keyword(s):
Keyword(s):