https://www.bibsonomy.org/user/drmatusek/configurationBibSonomy RSS Feed for /user/drmatusek/configurationPSI is an ab initio quantum chemistry software package using MC-SCF, CC, CI, MP2, MP2-R12 methods.http://www.psicode.orgdrmatusek2012-02-26T04:09:18+01:00chemistry cluster configuration coupled interaction mcscf perturbation quantum software theory <span itemprop="description">PSI is an ab initio quantum chemistry software package using MC-SCF, CC, CI, MP2, MP2-R12 methods.</span>NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.http://www.nwchem-sw.orgdrmatusek2012-02-26T03:51:51+01:00chemistry cluster configuration coupled density functional interaction mcscf perturbation python quantum software theory <span itemprop="description">NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.</span>Dalton is a full-featured electronic structure package specialising in optical and magnetic properties. It has MC-SCF, CC, CI, and DFT wave functions.http://dirac.chem.sdu.dk/daltonprogram.org/drmatusek2012-02-26T01:51:13+01:00chemistry cluster configuration coupled density functional interaction mcscf quantum software theory <span itemprop="description">Dalton is a full-featured electronic structure package specialising in optical and magnetic properties. It has MC-SCF, CC, CI, and DFT wave functions.</span>GAMESS-US is a full-featured electronic structure software package with MC-SCF, CC, DFT, and CI wave functions. QM/MM, FMO, solvation, and MD calculations are also possible.http://www.msg.chem.iastate.edu/drmatusek2012-02-26T01:38:14+01:00chemistry cluster configuration coupled density functional interaction mcscf quantum theory <span itemprop="description">GAMESS-US is a full-featured electronic structure software package with MC-SCF, CC, DFT, and CI wave functions. QM/MM, FMO, solvation, and MD calculations are also possible.</span>COLUMBUS is a collection of programs for high-level ab initio molecular electronic structure calculations. The programs are designed primarily for extended multi-reference (MR) calculations on electronic ground and excited states of atoms and molecules.http://www.univie.ac.at/columbus/drmatusek2012-02-26T01:30:05+01:00chemistry configuration interaction mcscf quantum software <span itemprop="description">COLUMBUS is a collection of programs for high-level ab initio molecular electronic structure calculations. The programs are designed primarily for extended multi-reference (MR) calculations on electronic ground and excited states of atoms and molecules.</span>