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The Journal of Chemical Physics|July 28, 2007
Second order explicitly correlated R12 theory revisited: a second quantization framework for treatment of the operators' partitioningsJozef Noga, Stanislav Kedzuch, Ján SimunekThe Journal of Chemical Physics|August 28, 2009
On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized moleculesEdit Mátyus, Ján Simunek, Attila G CsászárThe Journal of Chemical Physics|May 10, 2008
Explicitly correlated coupled cluster F12 theory with single and double excitationsJozef Noga, Stanislav Kedzuch, Ján Simunek, et al.Journal of Computational Chemistry|July 28, 2011
Acceleration of self-consistent-field convergence by combining conventional diagonalization and a diagonalization-free procedureAlexander Baldes, Wim Klopper, Ján Simunek, et al.Pageof 1