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Journal of Chemical Theory and Computation
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January 26, 2016
Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins
Giovanni Li Manni, Simon D Smart, Ali Alavi
Journal of Chemical Theory and Computation
|
June 9, 2016
Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions
Dongxia Ma, Giovanni Li Manni, Jeppe Olsen, et al.
Journal of Chemical Theory and Computation
|
May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems
Eugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
December 13, 2021
Stochastic Generalized Active Space Self-Consistent Field: Theory and Application
Oskar Weser, Kai Guther, Khaldoon Ghanem, et al.
Journal of Chemical Theory and Computation
|
December 3, 2025
Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians
Luca Bonfirraro, Oskar Weser, Maru Song, et al.
The Journal of Physical Chemistry. A
|
December 28, 2023
Toward a Stochastic Complete Active Space Second-Order Perturbation Theory
Arta A Safari, Robert J Anderson, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins
Giovanni Li Manni, Daniel Kats, David P Tew, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 25, 2021
Quenched Lewis Acidity: Studies on the Medium Dependent Fluorescence of Zinc(II) Complexes
Hannah Kurz, Gerald Hörner, Oskar Weser, et al.
The Journal of Chemical Physics
|
January 17, 2016
Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)]
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation
|
January 17, 2025
FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave Functions
Arta A Safari, Robert J Anderson, Ali Alavi, et al.
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of 5
Search research articles
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Showing results (11-20 of 44) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
January 26, 2016
Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins
Giovanni Li Manni, Simon D Smart, Ali Alavi
Journal of Chemical Theory and Computation
|
June 9, 2016
Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions
Dongxia Ma, Giovanni Li Manni, Jeppe Olsen, et al.
Journal of Chemical Theory and Computation
|
May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems
Eugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
December 13, 2021
Stochastic Generalized Active Space Self-Consistent Field: Theory and Application
Oskar Weser, Kai Guther, Khaldoon Ghanem, et al.
Journal of Chemical Theory and Computation
|
December 3, 2025
Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians
Luca Bonfirraro, Oskar Weser, Maru Song, et al.
The Journal of Physical Chemistry. A
|
December 28, 2023
Toward a Stochastic Complete Active Space Second-Order Perturbation Theory
Arta A Safari, Robert J Anderson, Giovanni Li Manni
Journal of Chemical Theory and Computation
|
January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins
Giovanni Li Manni, Daniel Kats, David P Tew, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 25, 2021
Quenched Lewis Acidity: Studies on the Medium Dependent Fluorescence of Zinc(II) Complexes
Hannah Kurz, Gerald Hörner, Oskar Weser, et al.
The Journal of Chemical Physics
|
January 17, 2016
Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)]
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
Journal of Chemical Theory and Computation
|
January 17, 2025
FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave Functions
Arta A Safari, Robert J Anderson, Ali Alavi, et al.
Page
of 5