Marco Vitek

icon company @IOCB icon location Prague icon location PhD student at Charles University doing research at IOCB CAS CZ

Results 1 issues of Marco Vitek

Help with FCIMQC Setup for Cyclo[16]carbon Using NECI — Different Results from SCF vs CASSCF Orbitals

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Hi there, I'm a beginner working with QMC and trying to set up a FCIMQC calculation using NECI for a C₁₆ cyclocarbon, focusing on the full π-electron active space (32...