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The Journal of Chemical Physics
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November 22, 2023
Unitary coupled-cluster for quantum computation of molecular properties in a strong magnetic field
Tanner Culpitt, Erik I Tellgren, Fabijan Pavošević
Journal of Chemical Theory and Computation
|
December 12, 2018
Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework
Fabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
March 20, 2018
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies
Yang Yang, Tanner Culpitt, Sharon Hammes-Schiffer
Chemical Reviews
|
April 14, 2020
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital Method
Fabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
June 4, 2017
Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure
Tanner Culpitt, Kurt R Brorsen, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
August 12, 2025
Constrained Nuclear-Electronic Orbital Theory for Quantum Computation
Tanner Culpitt, Zehua Chen, Fabijan Pavošević, et al.
The Journal of Chemical Physics
|
September 9, 2018
Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory
Yang Yang, Tanner Culpitt, Zhen Tao, et al.
The Journal of Chemical Physics
|
July 16, 2021
Ab initio molecular dynamics with screened Lorentz forces. I. Calculation and atomic charge interpretation of Berry curvature
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
February 2, 2022
Analytic calculation of the Berry curvature and diagonal Born-Oppenheimer correction for molecular systems in uniform magnetic fields
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Physical Chemistry Letters
|
February 19, 2019
Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework
Yang Yang, Patrick E Schneider, Tanner Culpitt, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
November 22, 2023
Unitary coupled-cluster for quantum computation of molecular properties in a strong magnetic field
Tanner Culpitt, Erik I Tellgren, Fabijan Pavošević
Journal of Chemical Theory and Computation
|
December 12, 2018
Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework
Fabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
The Journal of Physical Chemistry Letters
|
March 20, 2018
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies
Yang Yang, Tanner Culpitt, Sharon Hammes-Schiffer
Chemical Reviews
|
April 14, 2020
Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital Method
Fabijan Pavošević, Tanner Culpitt, Sharon Hammes-Schiffer
The Journal of Chemical Physics
|
June 4, 2017
Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure
Tanner Culpitt, Kurt R Brorsen, Sharon Hammes-Schiffer
Journal of Chemical Theory and Computation
|
August 12, 2025
Constrained Nuclear-Electronic Orbital Theory for Quantum Computation
Tanner Culpitt, Zehua Chen, Fabijan Pavošević, et al.
The Journal of Chemical Physics
|
September 9, 2018
Stability conditions and local minima in multicomponent Hartree-Fock and density functional theory
Yang Yang, Tanner Culpitt, Zhen Tao, et al.
The Journal of Chemical Physics
|
July 16, 2021
Ab initio molecular dynamics with screened Lorentz forces. I. Calculation and atomic charge interpretation of Berry curvature
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
February 2, 2022
Analytic calculation of the Berry curvature and diagonal Born-Oppenheimer correction for molecular systems in uniform magnetic fields
Tanner Culpitt, Laurens D M Peters, Erik I Tellgren, et al.
The Journal of Physical Chemistry Letters
|
February 19, 2019
Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital Framework
Yang Yang, Patrick E Schneider, Tanner Culpitt, et al.
Page
of 3