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Journal of Chemical Theory and Computation
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August 18, 2020
General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants
Claudio Genovese, Tomonori Shirakawa, Kousuke Nakano, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 17, 2016
Assessing the orbital selective Mott transition with variational wave functions
Luca F Tocchio, Federico Arrigoni, Sandro Sorella, et al.
The Journal of Chemical Physics
|
June 8, 2015
Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz
Nicolas Dupuy, Samira Bouaouli, Francesco Mauri, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach
Fabio Sterpone, Leonardo Spanu, Luca Ferraro, et al.
Physical Review Letters
|
February 9, 2005
Variational description of Mott insulators
Manuela Capello, Federico Becca, Michele Fabrizio, et al.
The Journal of Chemical Physics
|
April 17, 2015
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola, et al.
Journal of Chemical Theory and Computation
|
April 4, 2023
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power <i>Ansatz</i>
Abhishek Raghav, Ryo Maezono, Kenta Hongo, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz
Andrea Zen, Emanuele Coccia, Ye Luo, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne
Emanuele Coccia, Olga Chernomor, Matteo Barborini, et al.
The Journal of Chemical Physics
|
December 11, 2023
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Kousuke Nakano, Oto Kohulák, Abhishek Raghav, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 50) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
August 18, 2020
General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants
Claudio Genovese, Tomonori Shirakawa, Kousuke Nakano, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 17, 2016
Assessing the orbital selective Mott transition with variational wave functions
Luca F Tocchio, Federico Arrigoni, Sandro Sorella, et al.
The Journal of Chemical Physics
|
June 8, 2015
Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz
Nicolas Dupuy, Samira Bouaouli, Francesco Mauri, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach
Fabio Sterpone, Leonardo Spanu, Luca Ferraro, et al.
Physical Review Letters
|
February 9, 2005
Variational description of Mott insulators
Manuela Capello, Federico Becca, Michele Fabrizio, et al.
The Journal of Chemical Physics
|
April 17, 2015
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Andrea Zen, Ye Luo, Guglielmo Mazzola, et al.
Journal of Chemical Theory and Computation
|
April 4, 2023
Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power <i>Ansatz</i>
Abhishek Raghav, Ryo Maezono, Kenta Hongo, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz
Andrea Zen, Emanuele Coccia, Ye Luo, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne
Emanuele Coccia, Olga Chernomor, Matteo Barborini, et al.
The Journal of Chemical Physics
|
December 11, 2023
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Kousuke Nakano, Oto Kohulák, Abhishek Raghav, et al.
Page
of 5