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The Journal of Chemical Physics
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May 3, 2020
Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction
B Scott Fales, Todd J Martínez
Journal of Chemical Theory and Computation
|
January 30, 2020
Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction
B Scott Fales, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 18, 2015
Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units
B Scott Fales, Benjamin G Levine
Nano Letters
|
August 21, 2015
Defect-Induced Conical Intersections Promote Nonradiative Recombination
Yinan Shu, B Scott Fales, Benjamin G Levine
Journal of Chemical Theory and Computation
|
July 10, 2018
Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
Wei-Tao Peng, B Scott Fales, Benjamin G Levine
Journal of Chemical Theory and Computation
|
August 4, 2017
Robust and Efficient Spin Purification for Determinantal Configuration Interaction
B Scott Fales, Edward G Hohenstein, Benjamin G Levine
The Journal of Chemical Physics
|
September 10, 2017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
B Scott Fales, Yinan Shu, Benjamin G Levine, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2017
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu, B Scott Fales, Wei-Tao Peng, et al.
Chemical Science
|
April 10, 2018
Dynamics of recombination <i>via</i> conical intersection in a semiconductor nanocrystal
Wei-Tao Peng, B Scott Fales, Yinan Shu, et al.
The Journal of Chemical Physics
|
February 9, 2022
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes
Edward G Hohenstein, B Scott Fales, Robert M Parrish, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
May 3, 2020
Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction
B Scott Fales, Todd J Martínez
Journal of Chemical Theory and Computation
|
January 30, 2020
Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction
B Scott Fales, Todd J Martínez
Journal of Chemical Theory and Computation
|
November 18, 2015
Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units
B Scott Fales, Benjamin G Levine
Nano Letters
|
August 21, 2015
Defect-Induced Conical Intersections Promote Nonradiative Recombination
Yinan Shu, B Scott Fales, Benjamin G Levine
Journal of Chemical Theory and Computation
|
July 10, 2018
Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
Wei-Tao Peng, B Scott Fales, Benjamin G Levine
Journal of Chemical Theory and Computation
|
August 4, 2017
Robust and Efficient Spin Purification for Determinantal Configuration Interaction
B Scott Fales, Edward G Hohenstein, Benjamin G Levine
The Journal of Chemical Physics
|
September 10, 2017
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
B Scott Fales, Yinan Shu, Benjamin G Levine, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2017
Understanding Nonradiative Recombination through Defect-Induced Conical Intersections
Yinan Shu, B Scott Fales, Wei-Tao Peng, et al.
Chemical Science
|
April 10, 2018
Dynamics of recombination <i>via</i> conical intersection in a semiconductor nanocrystal
Wei-Tao Peng, B Scott Fales, Yinan Shu, et al.
The Journal of Chemical Physics
|
February 9, 2022
Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes
Edward G Hohenstein, B Scott Fales, Robert M Parrish, et al.
Page
of 2