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Journal of Chemical Theory and Computation|August 8, 2022
Accelerating Real-Time Coupled Cluster Methods with Single-Precision Arithmetic and Adaptive Numerical IntegrationZhe Wang, Benjamin G Peyton, T Daniel CrawfordThe Journal of Physical Chemistry. A|October 2, 2023
Reduced Scaling Real-Time Coupled Cluster TheoryBenjamin G Peyton, Zhe Wang, T Daniel CrawfordThe Journal of Physical Chemistry. A|May 7, 2019
Basis Set Superposition Errors in the Many-Body Expansion of Molecular PropertiesBenjamin G Peyton, T Daniel CrawfordThe Journal of Physical Chemistry. A|May 16, 2020
Machine-Learning Coupled Cluster Properties through a Density Tensor RepresentationBenjamin G Peyton, Connor Briggs, Ruhee D'Cunha, et al.The Journal of Physical Chemistry. A|February 8, 2025
Real-Time Coupled Cluster Theory with Approximate TriplesZhe Wang, Håkon Emil Kristiansen, Thomas Bondo Pedersen, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 16, 2011
Coupled-cluster calculations of vibrational Raman optical activity spectraT Daniel Crawford, Kenneth RuudThe Journal of Physical Chemistry. A|April 8, 2021
Modeling Complex Solvent Effects on the Optical Rotation of Chiral Molecules: A Combined Molecular Dynamics and Density Functional Theory StudyRuhee D'Cunha, T Daniel CrawfordPhysical Chemistry Chemical Physics : PCCP|October 28, 2010
Symmetry breaking in the cyclic C(3)C(2)H radicalBenjamin Mintz, T Daniel CrawfordJournal of Chemical Theory and Computation|December 22, 2020
PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response TheoryRuhee D'Cunha, T Daniel CrawfordThe Journal of Physical Chemistry. A|January 4, 2017
Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response TheoryAshutosh Kumar, T Daniel CrawfordPageof 512