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The Journal of Physical Chemistry. A
|
August 15, 2025
Chemist: A Domain-Specific Language by Chemists for Chemists
Jonathan M Waldrop, Wibe de Jong, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
April 23, 2024
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, et al.
The Journal of Physical Chemistry. A
|
December 10, 2019
Combined Relativistic Ab Initio Multireference and Experimental Study of the Electronic Structure of Terbium Luminescent Compound
Chun-Xiang Wang, Yong Li, Zhi-Feng Li, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation
Shichao Sun, Torin F Stetina, Tianyuan Zhang, et al.
Journal of Chemical Theory and Computation
|
August 19, 2022
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
Ashutosh Kumar, Ayush Asthana, Conner Masteran, et al.
The Journal of Chemical Physics
|
April 13, 2026
SeQuant framework for symbolic and numerical tensor algebra. I. Core capabilities
Bimal Gaudel, Robert G Adam, Ajay Melekamburath, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
Stephen H Yuwono, Run R Li, Tianyuan Zhang, et al.
The Journal of Chemical Physics
|
December 6, 2006
CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule
Paolo Barletta, Sergei V Shirin, Nikolai F Zobov, et al.
The Journal of Chemical Physics
|
January 7, 2005
HEAT: High accuracy extrapolated ab initio thermochemistry
Attila Tajti, Péter G Szalay, Attila G Császár, et al.
The Journal of Chemical Physics
|
June 16, 2023
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory
David B Williams-Young, Andrey Asadchev, Doru Thom Popovici, et al.
Page
of 9
Search research articles
Search
Showing results (71-80 of 87) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry. A
|
August 15, 2025
Chemist: A Domain-Specific Language by Chemists for Chemists
Jonathan M Waldrop, Wibe de Jong, Edward F Valeev, et al.
The Journal of Physical Chemistry. A
|
April 23, 2024
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, et al.
The Journal of Physical Chemistry. A
|
December 10, 2019
Combined Relativistic Ab Initio Multireference and Experimental Study of the Electronic Structure of Terbium Luminescent Compound
Chun-Xiang Wang, Yong Li, Zhi-Feng Li, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation
Shichao Sun, Torin F Stetina, Tianyuan Zhang, et al.
Journal of Chemical Theory and Computation
|
August 19, 2022
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
Ashutosh Kumar, Ayush Asthana, Conner Masteran, et al.
The Journal of Chemical Physics
|
April 13, 2026
SeQuant framework for symbolic and numerical tensor algebra. I. Core capabilities
Bimal Gaudel, Robert G Adam, Ajay Melekamburath, et al.
The Journal of Physical Chemistry. A
|
July 29, 2024
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
Stephen H Yuwono, Run R Li, Tianyuan Zhang, et al.
The Journal of Chemical Physics
|
December 6, 2006
CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule
Paolo Barletta, Sergei V Shirin, Nikolai F Zobov, et al.
The Journal of Chemical Physics
|
January 7, 2005
HEAT: High accuracy extrapolated ab initio thermochemistry
Attila Tajti, Péter G Szalay, Attila G Császár, et al.
The Journal of Chemical Physics
|
June 16, 2023
Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory
David B Williams-Young, Andrey Asadchev, Doru Thom Popovici, et al.
Page
of 9