Search research articles
Contact Us
Filters
Showing results (91-100 of 137) with videos related to
Page
of 14
Sort By:
Journal of Chemical Theory and Computation
|
July 22, 2017
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals
Elvira R Sayfutyarova, Qiming Sun, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
July 3, 2017
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
Alexander Yu Sokolov, Sheng Guo, Enrico Ronca, et al.
Nature Computational Science
|
January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterials
Alec F White, Chenghan Li, Xing Zhang, et al.
Journal of the American Chemical Society
|
August 24, 2022
The Chromium Dimer: Closing a Chapter of Quantum Chemistry
Henrik R Larsson, Huanchen Zhai, C J Umrigar, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states
Johannes Hachmann, Brenda A Frazier, Peter T Wolczanski, et al.
Nano Letters
|
April 3, 2009
Perfect reflection of chiral fermions in gated graphene nanoribbons
Jesse M Kinder, Jonathan J Dorando, Haitao Wang, et al.
Journal of Chemical Theory and Computation
|
August 27, 2024
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo Mejía, Sandeep Sharma, Roi Baer, et al.
The Journal of Chemical Physics
|
November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C Berkelbach, James D McClain, et al.
Journal of Chemical Theory and Computation
|
September 28, 2017
Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians
Enrico Ronca, Zhendong Li, Carlos A Jimenez-Hoyos, et al.
The Journal of Chemical Physics
|
December 15, 2020
A coupled cluster framework for electrons and phonons
Alec F White, Yang Gao, Austin J Minnich, et al.
Page
of 14
Search research articles
Search
Showing results (91-100 of 137) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
July 22, 2017
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals
Elvira R Sayfutyarova, Qiming Sun, Garnet Kin-Lic Chan, et al.
The Journal of Chemical Physics
|
July 3, 2017
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes
Alexander Yu Sokolov, Sheng Guo, Enrico Ronca, et al.
Nature Computational Science
|
January 4, 2024
Quantum harmonic free energies for biomolecules and nanomaterials
Alec F White, Chenghan Li, Xing Zhang, et al.
Journal of the American Chemical Society
|
August 24, 2022
The Chromium Dimer: Closing a Chapter of Quantum Chemistry
Henrik R Larsson, Huanchen Zhai, C J Umrigar, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 29, 2011
A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states
Johannes Hachmann, Brenda A Frazier, Peter T Wolczanski, et al.
Nano Letters
|
April 3, 2009
Perfect reflection of chiral fermions in gated graphene nanoribbons
Jesse M Kinder, Jonathan J Dorando, Haitao Wang, et al.
Journal of Chemical Theory and Computation
|
August 27, 2024
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo Mejía, Sandeep Sharma, Roi Baer, et al.
The Journal of Chemical Physics
|
November 4, 2017
Gaussian and plane-wave mixed density fitting for periodic systems
Qiming Sun, Timothy C Berkelbach, James D McClain, et al.
Journal of Chemical Theory and Computation
|
September 28, 2017
Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians
Enrico Ronca, Zhendong Li, Carlos A Jimenez-Hoyos, et al.
The Journal of Chemical Physics
|
December 15, 2020
A coupled cluster framework for electrons and phonons
Alec F White, Yang Gao, Austin J Minnich, et al.
Page
of 14