Combined Quantum Monte Carlo – Effective Fragment Molecular Orbital Method: Fragmentation Across Covalent Bonds
Keyword(s):
The previously developed combined Quantum Monte Carlo – Effective Fragment Molecular Orbital (QMC-EFMO) method is extended to systems in which the fragmentation process cuts across covalent molecular bonds. The extended...
2006 ◽
pp. 141-146
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2019 ◽
Vol 117
(9-12)
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pp. 1532-1540
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2015 ◽
Vol 11
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pp. 3053-3064
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2015 ◽
Vol 635
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pp. 86-92
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2006 ◽
Vol 110
(47)
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pp. 24276-24276
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2004 ◽
Vol 121
(6)
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pp. 2483
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