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Volumn 543, Issue , 2012, Pages 45-49
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Simulation of the (H 2O) 8 cluster with the SCC-DFTB electronic structure method
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Author keywords
[No Author keywords available]
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Indexed keywords
AB INITIO;
BASIN HOPPING;
DENSITY-FUNCTIONAL TIGHT-BINDING;
DISPERSION CORRECTION;
FINITE TEMPERATURES;
H-BONDING;
MODEL POTENTIAL;
MONTE CARLO SIMULATION;
MP2 CALCULATIONS;
POTENTIAL ENERGY MINIMA;
SECOND ORDERS;
SELF CONSISTENT CHARGES;
THIRD ORDER;
CALCULATIONS;
ELECTRONIC STRUCTURE;
MONTE CARLO METHODS;
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EID: 84864456948
PISSN: 00092614
EISSN: None
Source Type: Journal
DOI: 10.1016/j.cplett.2012.06.046 Document Type: Article |
Times cited : (27)
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References (50)
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