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Journal of Chemical Theory and Computation|July 23, 2020
Improved Fast Randomized Iteration Approach to Full Configuration InteractionSamuel M Greene, Robert J Webber, Jonathan Weare, et al.Journal of Chemical Theory and Computation|February 21, 2017
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of SolidsJames McClain, Qiming Sun, Garnet Kin-Lic Chan, et al.The Journal of Physical Chemistry. A|January 27, 2006
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: coumarin 343 at titanium oxideIvan Kondov, Michael Thoss, Haobin WangThe Journal of Chemical Physics|May 21, 2022
Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin spaceYaling Ke, Raffaele Borrelli, Michael ThossThe Journal of Chemical Physics|November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systemsQiming Sun, Timothy C Berkelbach, James D McClain, et al.Journal of Chemical Theory and Computation|December 19, 2023
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural OrbitalsJo S Kurian, Hong-Zhou Ye, Ankit Mahajan, et al.The Journal of Chemical Physics|November 15, 2006
Calculation of reactive flux correlation functions for systems in a condensed phase environment: a multilayer multiconfiguration time-dependent Hartree approachHaobin Wang, David E Skinner, Michael ThossThe Journal of Chemical Physics|October 10, 2015
Semiclassical Green's functions and an instanton formulation of electron-transfer rates in the nonadiabatic limitJeremy O Richardson, Rainer Bauer, Michael ThossThe Journal of Chemical Physics|August 12, 2024
Nonadiabatic dynamics of molecules interacting with metal surfaces: Extending the hierarchical equations of motion and Langevin dynamics approach to position-dependent metal-molecule couplingsMartin Mäck, Michael Thoss, Samuel L RudgeThe Journal of Chemical Physics|October 16, 2007
Proton transfer reactions in model condensed-phase environments: Accurate quantum dynamics using the multilayer multiconfiguration time-dependent Hartree approachIan R Craig, Michael Thoss, Haobin WangPageof 15