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 QuappVolume:
23
Year:
2002
Language:
english
Pages:
8
DOI:
10.1002/jcc.10054
File:
PDF, 120 KB
english, 2002