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Physical Chemistry Chemical Physics : PCCP|April 8, 2024
Quantum simulation of conical intersectionsYuchen Wang, David A MazziottiChemical Reviews|February 4, 2025
Quantum Algorithms and Applications for Open Quantum SystemsLuis H Delgado-Granados, Timothy J Krogmeier, LeeAnn M Sager-Smith, et al.The 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 MazziottiThe Journal of Physical Chemistry. A|November 21, 2017
Static and Dynamic Electron Correlation in the Ligand Noninnocent Oxidation of Nickel DithiolatesAnthony W Schlimgen, David A MazziottiThe Journal of Chemical Physics|November 3, 2018
Analytical gradients of variational reduced-density-matrix and wavefunction-based methods from an overlap-reweighted semidefinite programAnthony W Schlimgen, David A MazziottiThe Journal of Chemical Physics|July 22, 2019
Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matricesKade Head-Marsden, David A MazziottiThe Journal of Chemical Physics|July 27, 2012
Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix methodChristine A Schwerdtfeger, David A MazziottiThe Journal of Chemical Physics|April 15, 2019
Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrixJan-Niklas Boyn, David A MazziottiThe Journal of Chemical Physics|January 3, 2013
Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculationsChristine A Schwerdtfeger, David A MazziottiPageof 14