Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3036 | 2015 |
Projected hartree–fock theory CA Jiménez-Hoyos, TM Henderson, T Tsuchimochi, GE Scuseria The Journal of chemical physics 136 (16), 2012 | 243 | 2012 |
What can density functional theory tell us about artificial catalytic water splitting? MG Mavros, T Tsuchimochi, T Kowalczyk, A McIsaac, LP Wang, ... Inorganic chemistry 53 (13), 6386-6397, 2014 | 161 | 2014 |
Strong correlations via constrained-pairing mean-field theory T Tsuchimochi, GE Scuseria The Journal of chemical physics 131 (12), 2009 | 109 | 2009 |
Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach T Kowalczyk, T Tsuchimochi, PT Chen, L Top, T Van Voorhis The Journal of chemical physics 138 (16), 2013 | 97 | 2013 |
Communication: ROHF theory made simple T Tsuchimochi, GE Scuseria The Journal of chemical physics 133 (14), 2010 | 74 | 2010 |
Density matrix embedding in an antisymmetrized geminal power bath T Tsuchimochi, M Welborn, T Van Voorhis The Journal of chemical physics 143 (2), 2015 | 62 | 2015 |
Constrained-pairing mean-field theory. II. Exact treatment of dissociations to nondegenerate orbitals GE Scuseria, T Tsuchimochi The Journal of chemical physics 131 (16), 2009 | 46 | 2009 |
Constrained active space unrestricted mean-field methods for controlling spin-contamination T Tsuchimochi, GE Scuseria The Journal of chemical physics 134 (6), 2011 | 42 | 2011 |
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures T Tsuchimochi, S Ten-no The Journal of Chemical Physics 144 (1), 2016 | 39 | 2016 |
Extended Møller-Plesset perturbation theory for dynamical and static correlations T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 141 (16), 2014 | 35 | 2014 |
Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities T Tsuchimochi, GE Scuseria, A Savin The Journal of chemical physics 132 (2), 2010 | 34 | 2010 |
Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems T Tsuchimochi The Journal of Chemical Physics 143 (14), 2015 | 32 | 2015 |
Application of the Sakurai‐Sugiura projection method to core‐excited‐state calculation by time‐dependent density functional theory T Tsuchimochi, M Kobayashi, A Nakata, Y Imamura, H Nakai Journal of computational chemistry 29 (14), 2311-2316, 2008 | 26 | 2008 |
Density functional study on core ionization spectra of cytidine and its fragments A Thompson, S Saha, F Wang, T Tsuchimochi, A Nakata, Y Imamura, ... Bulletin of the Chemical Society of Japan 82 (2), 187-195, 2009 | 25 | 2009 |
Time-dependent projected Hartree-Fock T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 142 (12), 2015 | 24 | 2015 |
Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree–Fock theory T Tsuchimochi, TM Henderson, GE Scuseria, A Savin The Journal of chemical physics 133 (13), 2010 | 24 | 2010 |
Analytic energy gradients for constrained DFT-configuration interaction B Kaduk, T Tsuchimochi, T Van Voorhis The Journal of Chemical Physics 140 (18), 2014 | 21 | 2014 |
Constrained-pairing mean-field theory. V. Triplet pairing formalism JK Ellis, CA Jiménez-Hoyos, TM Henderson, T Tsuchimochi, GE Scuseria The Journal of chemical physics 135 (3), 2011 | 9 | 2011 |
Bootstrap embedding T Van Voorhis, M Welborn, T Tsuchimochi, N Ricke ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |