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The Journal of Chemical Physics
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March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H Booth, et al.
The Journal of Chemical Physics
|
July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
Xing Zhang, Chenghan Li, Hong-Zhou Ye, et al.
The Journal of Physical Chemistry Letters
|
April 26, 2020
Exploring the Magnetic Properties of the Largest Single-Molecule Magnets
Henry F Schurkus, Dianteng Chen, Matthew J O'Rourke, et al.
Journal of Chemical Theory and Computation
|
March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.
Physical Review Letters
|
November 19, 2013
Striped spin liquid crystal ground state instability of kagome antiferromagnets
Bryan K Clark, Jesse M Kinder, Eric Neuscamman, et al.
The Journal of Physical Chemistry. A
|
November 15, 2023
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur Clusters
Huanchen Zhai, Seunghoon Lee, Zhi-Hao Cui, et al.
The Journal of Chemical Physics
|
January 24, 2015
The ab-initio density matrix renormalization group in practice
Roberto Olivares-Amaya, Weifeng Hu, Naoki Nakatani, et al.
Journal of Chemical Theory and Computation
|
May 25, 2023
Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave Functions
Ryan V Mishmash, Tanvi P Gujarati, Mario Motta, et al.
The Journal of Chemical Physics
|
September 9, 2024
Benchmarking the exponential ansatz for the Holstein model
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, et al.
The Journal of Chemical Physics
|
June 24, 2020
Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations
Henry F Schurkus, Garnet Kin-Lic Chan, Dian-Teng Chen, et al.
Page
of 14
Search research articles
Search
Showing results (111-120 of 137) with videos related to
Sort By:
Page
of 14
The Journal of Chemical Physics
|
March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H Booth, et al.
The Journal of Chemical Physics
|
July 1, 2024
Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics
Xing Zhang, Chenghan Li, Hong-Zhou Ye, et al.
The Journal of Physical Chemistry Letters
|
April 26, 2020
Exploring the Magnetic Properties of the Largest Single-Molecule Magnets
Henry F Schurkus, Dianteng Chen, Matthew J O'Rourke, et al.
Journal of Chemical Theory and Computation
|
March 5, 2025
Efficient Implementation of the Random Phase Approximation with Domain-Based Local Pair Natural Orbitals
Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan, et al.
Physical Review Letters
|
November 19, 2013
Striped spin liquid crystal ground state instability of kagome antiferromagnets
Bryan K Clark, Jesse M Kinder, Eric Neuscamman, et al.
The Journal of Physical Chemistry. A
|
November 15, 2023
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur Clusters
Huanchen Zhai, Seunghoon Lee, Zhi-Hao Cui, et al.
The Journal of Chemical Physics
|
January 24, 2015
The ab-initio density matrix renormalization group in practice
Roberto Olivares-Amaya, Weifeng Hu, Naoki Nakatani, et al.
Journal of Chemical Theory and Computation
|
May 25, 2023
Hierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave Functions
Ryan V Mishmash, Tanvi P Gujarati, Mario Motta, et al.
The Journal of Chemical Physics
|
September 9, 2024
Benchmarking the exponential ansatz for the Holstein model
Junjie Yang, Zhi-Hao Cui, Ankit Mahajan, et al.
The Journal of Chemical Physics
|
June 24, 2020
Theoretical prediction of magnetic exchange coupling constants from broken-symmetry coupled cluster calculations
Henry F Schurkus, Garnet Kin-Lic Chan, Dian-Teng Chen, et al.
Page
of 14