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Nicholas J Mayhall

Showing results (21-30 of 48) with videos related to

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Journal of Chemical Theory and Computation|November 14, 2022
New Local Explorations of the Unitary Coupled Cluster Energy LandscapeHarper R Grimsley, Nicholas J Mayhall
The Journal of Physical Chemistry Letters|August 12, 2015
Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip RequiredNicholas J Mayhall, Martin Head-Gordon
Journal of Chemical Theory and Computation|September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and BenchmarkingVikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
The Journal of Chemical Physics|March 25, 2010
ONIOM-based QM:QM electronic embedding method using Löwdin atomic charges: energies and analytic gradientsNicholas J Mayhall, Krishnan Raghavachari, Hrant P Hratchian
The Journal of Physical Chemistry. A|April 4, 2024
Tribute to Krishnan RaghavachariHrant P Hratchian, Amir Karton, Nicholas J Mayhall
The Journal of Physical Chemistry. A|September 21, 2023
Generalization of the Tensor Product Selected CI Method for Molecular Excited StatesNicole M Braunscheidel, Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 24, 2015
A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) SurfaceBenjamin C Gamoke, Nicholas J Mayhall, Krishnan Raghavachari
Faraday Discussions|August 9, 2024
Accurate and interpretable representation of correlated electronic structure <i>via</i> Tensor Product Selected CINicole M Braunscheidel, Arnab Bachhar, Nicholas J Mayhall
Journal of Chemical Theory and Computation|April 29, 2020
Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA approachOinam Romesh Meitei, Shannon E Houck, Nicholas J Mayhall
Pageof 5

Showing results (21-30 of 48) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|November 14, 2022
New Local Explorations of the Unitary Coupled Cluster Energy LandscapeHarper R Grimsley, Nicholas J Mayhall
The Journal of Physical Chemistry Letters|August 12, 2015
Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip RequiredNicholas J Mayhall, Martin Head-Gordon
Journal of Chemical Theory and Computation|September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and BenchmarkingVikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
The Journal of Chemical Physics|March 25, 2010
ONIOM-based QM:QM electronic embedding method using Löwdin atomic charges: energies and analytic gradientsNicholas J Mayhall, Krishnan Raghavachari, Hrant P Hratchian
The Journal of Physical Chemistry. A|April 4, 2024
Tribute to Krishnan RaghavachariHrant P Hratchian, Amir Karton, Nicholas J Mayhall
The Journal of Physical Chemistry. A|September 21, 2023
Generalization of the Tensor Product Selected CI Method for Molecular Excited StatesNicole M Braunscheidel, Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation|November 19, 2015
A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong CorrelationsNicholas J Mayhall, Matthew Goldey, Martin Head-Gordon
Journal of Chemical Theory and Computation|November 24, 2015
A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) SurfaceBenjamin C Gamoke, Nicholas J Mayhall, Krishnan Raghavachari
Faraday Discussions|August 9, 2024
Accurate and interpretable representation of correlated electronic structure <i>via</i> Tensor Product Selected CINicole M Braunscheidel, Arnab Bachhar, Nicholas J Mayhall
Journal of Chemical Theory and Computation|April 29, 2020
Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA approachOinam Romesh Meitei, Shannon E Houck, Nicholas J Mayhall
Pageof 5