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Journal of Chemical Theory and Computation
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October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
Journal of Chemical Theory and Computation
|
January 30, 2018
Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of FeS
Anthony Scemama, Yann Garniron, Michel Caffarel, et al.
The Journal of Chemical Physics
|
July 24, 2017
Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
Yann Garniron, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
April 24, 2017
Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu, et al.
The Journal of Chemical Physics
|
August 17, 2018
Selected configuration interaction dressed by perturbation
Yann Garniron, Anthony Scemama, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
November 23, 2017
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron, et al.
Journal of Chemical Theory and Computation
|
July 3, 2018
A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks
Pierre-François Loos, Anthony Scemama, Aymeric Blondel, et al.
Journal of Chemical Theory and Computation
|
May 15, 2019
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
Journal of Chemical Theory and Computation
|
January 30, 2018
Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of FeS
Anthony Scemama, Yann Garniron, Michel Caffarel, et al.
The Journal of Chemical Physics
|
July 24, 2017
Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
Yann Garniron, Anthony Scemama, Pierre-François Loos, et al.
The Journal of Chemical Physics
|
April 24, 2017
Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster
Yann Garniron, Emmanuel Giner, Jean-Paul Malrieu, et al.
The Journal of Chemical Physics
|
August 17, 2018
Selected configuration interaction dressed by perturbation
Yann Garniron, Anthony Scemama, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
November 23, 2017
A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves
Emmanuel Giner, Celestino Angeli, Yann Garniron, et al.
Journal of Chemical Theory and Computation
|
July 3, 2018
A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks
Pierre-François Loos, Anthony Scemama, Aymeric Blondel, et al.
Journal of Chemical Theory and Computation
|
May 15, 2019
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron, Thomas Applencourt, Kevin Gasperich, et al.
Page
of 1