Showing results (31-40 of 133) with videos related to
Sort By:
Pageof 14
The 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 MazziottiPhysical Chemistry Chemical Physics : PCCP|April 8, 2024
Quantum simulation of conical intersectionsYuchen Wang, David A MazziottiThe Journal of Chemical Physics|August 17, 2015
Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structureErik P Hoy, David A MazziottiThe Journal of Physical Chemistry. A|October 8, 2011
Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theoryChristine A Schwerdtfeger, David A MazziottiPageof 14