Showing results (31-40 of 136) with videos related to
Sort By:
Pageof 14
The Journal of Chemical Physics|May 10, 2011
Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schrödinger equationLoren Greenman, David A MazziottiThe Journal of Chemical Physics|January 1, 2008
Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix methodGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|September 16, 2005
Application of variational reduced-density-matrix theory to the potential energy surfaces of the nitrogen and carbon dimersGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|December 3, 2008
Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron HamiltonianGergely Gidofalvi, David A MazziottiThe Journal of Physical Chemistry. A|January 7, 2014
Molecule-optimized basis sets and Hamiltonians for accelerated electronic structure calculations of atoms and moleculesGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|April 20, 2005
Application of variational reduced-density-matrix theory to organic moleculesGergely Gidofalvi, David A MazziottiThe Journal of Chemical Physics|April 20, 2005
Improved perturbative treatment of electronic energies from a minimal-norm approach to many-body perturbation theoryTamás Juhász, David A MazziottiPhysical Review Letters|February 1, 2008
Global energy minima of molecular clusters computed in polynomial time with semidefinite programmingEugene Kamarchik, David A MazziottiThe Journal of Chemical Physics|February 10, 2018
Sparsity of the wavefunction from the generalized Pauli exclusion principleRomit Chakraborty, David A MazziottiThe Journal of Physical Chemistry. A|April 21, 2006
Variational reduced-density-matrix theory applied to the potential energy surfaces of carbon monoxide in the presence of electric fieldsGergely Gidofalvi, David A MazziottiPageof 14