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The Journal of Chemical Physics
|
February 12, 2015
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: acrolein in water
Franca Maria Floris, Claudia Filippi, Claudio Amovilli
The Journal of Chemical Physics
|
January 7, 2009
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory
Claudio Amovilli, Claudia Filippi, Franca Maria Floris
The Journal of Chemical Physics
|
April 17, 2015
Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory
Omar Valsson, Claudia Filippi, Mark E Casida
The Journal of Physical Chemistry. A
|
February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential <i>Ab Initio</i> Study of a Minimal Nitrogenase [Fe(SH)<sub>4</sub>H]<sup>-</sup> Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Journal of Chemical Theory and Computation
|
June 29, 2018
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
Monika Dash, Saverio Moroni, Anthony Scemama, et al.
The Journal of Chemical Physics
|
April 29, 2010
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
Michele Casula, Saverio Moroni, Sandro Sorella, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene
Monika Dash, Saverio Moroni, Claudia Filippi, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 8, 2014
Wavefunction in density functional theory embedding for excited states: which wavefunctions, which densities?
Csaba Daday, Carolin König, Johannes Neugebauer, et al.
The Journal of Chemical Physics
|
July 9, 2025
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
Stuart Shepard, Anthony Scemama, Saverio Moroni, et al.
Journal of Chemical Theory and Computation
|
January 26, 2022
Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes
Alice Cuzzocrea, Saverio Moroni, Anthony Scemama, et al.
Page
of 6
Search research articles
Search
Showing results (21-30 of 54) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
February 12, 2015
Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: acrolein in water
Franca Maria Floris, Claudia Filippi, Claudio Amovilli
The Journal of Chemical Physics
|
January 7, 2009
Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory
Claudio Amovilli, Claudia Filippi, Franca Maria Floris
The Journal of Chemical Physics
|
April 17, 2015
Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory
Omar Valsson, Claudia Filippi, Mark E Casida
The Journal of Physical Chemistry. A
|
February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential <i>Ab Initio</i> Study of a Minimal Nitrogenase [Fe(SH)<sub>4</sub>H]<sup>-</sup> Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Journal of Chemical Theory and Computation
|
June 29, 2018
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
Monika Dash, Saverio Moroni, Anthony Scemama, et al.
The Journal of Chemical Physics
|
April 29, 2010
Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited
Michele Casula, Saverio Moroni, Sandro Sorella, et al.
Journal of Chemical Theory and Computation
|
May 24, 2021
Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene
Monika Dash, Saverio Moroni, Claudia Filippi, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 8, 2014
Wavefunction in density functional theory embedding for excited states: which wavefunctions, which densities?
Csaba Daday, Carolin König, Johannes Neugebauer, et al.
The Journal of Chemical Physics
|
July 9, 2025
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
Stuart Shepard, Anthony Scemama, Saverio Moroni, et al.
Journal of Chemical Theory and Computation
|
January 26, 2022
Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes
Alice Cuzzocrea, Saverio Moroni, Anthony Scemama, et al.
Page
of 6