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Journal of Chemical Theory and Computation
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November 29, 2015
Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory
Lee M J Huntington, Ondřej Demel, Marcel Nooijen
Journal of Chemical Theory and Computation
|
July 1, 2024
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium
Songhao Bao, Neil Raymond, Tao Zeng, et al.
The Journal of Chemical Physics
|
October 12, 2018
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
Neil Raymond, Dmitri Iouchtchenko, Pierre-Nicholas Roy, et al.
The Journal of Chemical Physics
|
March 26, 2009
State specific equation of motion coupled cluster method in general active space
Liguo Kong, K R Shamasundar, Ondrej Demel, et al.
The Journal of Physical Chemistry. A
|
October 30, 2008
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals
Ondrej Demel, K R Shamasundar, Liguo Kong, et al.
The Journal of Chemical Physics
|
October 23, 2021
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals
Ondřej Demel, Michael J Lecours, Richard Habrovský, et al.
Journal of Chemical Theory and Computation
|
December 6, 2017
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies
Achintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.
The Journal of Chemical Physics
|
February 24, 2017
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
Achintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.
The Journal of Chemical Physics
|
April 17, 2017
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
Varun Rishi, Ajith Perera, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
July 13, 2005
Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen, et al.
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of 5
Search research articles
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Showing results (21-30 of 42) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 29, 2015
Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory
Lee M J Huntington, Ondřej Demel, Marcel Nooijen
Journal of Chemical Theory and Computation
|
July 1, 2024
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium
Songhao Bao, Neil Raymond, Tao Zeng, et al.
The Journal of Chemical Physics
|
October 12, 2018
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
Neil Raymond, Dmitri Iouchtchenko, Pierre-Nicholas Roy, et al.
The Journal of Chemical Physics
|
March 26, 2009
State specific equation of motion coupled cluster method in general active space
Liguo Kong, K R Shamasundar, Ondrej Demel, et al.
The Journal of Physical Chemistry. A
|
October 30, 2008
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicals
Ondrej Demel, K R Shamasundar, Liguo Kong, et al.
The Journal of Chemical Physics
|
October 23, 2021
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtuals
Ondřej Demel, Michael J Lecours, Richard Habrovský, et al.
Journal of Chemical Theory and Computation
|
December 6, 2017
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies
Achintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.
The Journal of Chemical Physics
|
February 24, 2017
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
Achintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.
The Journal of Chemical Physics
|
April 17, 2017
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
Varun Rishi, Ajith Perera, Marcel Nooijen, et al.
The Journal of Chemical Physics
|
July 13, 2005
Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane
Johannes Neugebauer, Evert Jan Baerends, Marcel Nooijen, et al.
Page
of 5