Searched defs:wavefunctions (Results 1 – 8 of 8) sorted by relevance
451 Generation of a CISD wavefunctions using GAMESS484 Optimization of a multideterminant wavefunction525 CISD, CASCI, and SOCI
1757 .. _backflow:
10 MODULE wavefunctions module
334 def wavefunctions(bz_index): function
341 def wavefunctions(bz_index): function
126 def wavefunctions(self, calc, periodic=True): member in WaveFunction
198 std::map<std::string, Wavefunction> wavefunctions; variable
239 vector <WF_kpoint> wavefunctions; member in Abinit_converter603 int extend_occupation(vector <vector < double> > & supercell, in extend_occupation()