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Journal of Chemical Theory and Computation
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August 30, 2025
Self-Consistent <i>GW</i> via Conservation of Spectral Moments
Oliver J Backhouse, Marcus K Allen, Charles J C Scott, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grüneis, George H Booth, Martijn Marsman, et al.
The Journal of Chemical Physics
|
March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H Booth, et al.
The Journal of Chemical Physics
|
August 10, 2015
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo
Robert E Thomas, Daniel Opalka, Catherine Overy, et al.
The Journal of Chemical Physics
|
January 3, 2015
Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo
Catherine Overy, George H Booth, N S Blunt, et al.
The Journal of Chemical Physics
|
May 17, 2015
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
N S Blunt, Simon D Smart, J A F Kersten, et al.
Nature Communications
|
October 21, 2025
A multi-resolution systematically improvable quantum embedding scheme for large-scale surface chemistry calculations
Zigeng Huang, Zhen Guo, Changsu Cao, et al.
The Journal of Chemical Physics
|
June 3, 2017
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Faraday Discussions
|
October 14, 2024
Stochastic and low-scaling techniques/extended systems: general discussion
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 6
Search research articles
Search
Showing results (41-50 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
August 30, 2025
Self-Consistent <i>GW</i> via Conservation of Spectral Moments
Oliver J Backhouse, Marcus K Allen, Charles J C Scott, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grüneis, George H Booth, Martijn Marsman, et al.
The Journal of Chemical Physics
|
March 18, 2014
Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer
Sandeep Sharma, Takeshi Yanai, George H Booth, et al.
The Journal of Chemical Physics
|
August 10, 2015
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo
Robert E Thomas, Daniel Opalka, Catherine Overy, et al.
The Journal of Chemical Physics
|
January 3, 2015
Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo
Catherine Overy, George H Booth, N S Blunt, et al.
The Journal of Chemical Physics
|
May 17, 2015
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
N S Blunt, Simon D Smart, J A F Kersten, et al.
Nature Communications
|
October 21, 2025
A multi-resolution systematically improvable quantum embedding scheme for large-scale surface chemistry calculations
Zigeng Huang, Zhen Guo, Changsu Cao, et al.
The Journal of Chemical Physics
|
June 3, 2017
A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface
Theodoros Tsatsoulis, Felix Hummel, Denis Usvyat, et al.
Faraday Discussions
|
October 14, 2024
Stochastic and low-scaling techniques/extended systems: general discussion
Ali Alavi, Kemal Atalar, Timothy C Berkelbach, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 6