Determination of energy minima and saddle points using...

Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene

Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp
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Volume:
23
Year:
2002
Language:
english
Pages:
8
DOI:
10.1002/jcc.10054
File:
PDF, 120 KB
english, 2002
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