Showing results (1-10 of 109) with videos related to
Sort By:
Pageof 11
The Journal of Chemical Physics|June 3, 2017
Efficient evaluation of three-center Coulomb integralsGyula Samu, Mihály KállayThe Journal of Chemical Physics|October 4, 2018
Efficient evaluation of the geometrical first derivatives of three-center Coulomb integralsGyula Samu, Mihály KállayJournal of Chemical Theory and Computation|September 13, 2016
An Integral-Direct Linear-Scaling Second-Order Møller-Plesset ApproachPéter R Nagy, Gyula Samu, Mihály KállayJournal of Chemical Theory and Computation|July 3, 2018
Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark ApplicationsPéter R Nagy, Gyula Samu, Mihály KállayThe Journal of Chemical Physics|June 1, 2015
Linear-scaling implementation of the direct random-phase approximationMihály KállayThe Journal of Chemical Physics|January 3, 2015
A systematic way for the cost reduction of density fitting methodsMihály KállayThe Journal of Chemical Physics|May 4, 2021
Speeding up Hartree-Fock and Kohn-Sham calculations with first-order correctionsJózsef Csóka, Mihály KállayThe Journal of Chemical Physics|July 23, 2004
Analytic second derivatives for general coupled-cluster and configuration-interaction modelsMihály Kállay, Jürgen GaussJournal of Chemical Theory and Computation|June 21, 2021
Spin-Scaled Range-Separated Double-Hybrid Density Functional Theory for Excited StatesDávid Mester, Mihály KállayThe Journal of Chemical Physics|November 13, 2004
Calculation of excited-state properties using general coupled-cluster and configuration-interaction modelsMihály Kállay, Jürgen GaussPageof 11