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The Journal of Chemical Physics
|
April 22, 2010
First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem
William J Glover, Ross E Larsen, Benjamin J Schwartz
The Journal of Physical Chemistry. A
|
March 25, 2011
Simulating the formation of sodium:electron tight-contact pairs: watching the solvation of atoms in liquids one molecule at a time
William J Glover, Ross E Larsen, Benjamin J Schwartz
The Journal of Physical Chemistry. B
|
October 6, 2006
Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron
Ross E Larsen, Michael J Bedard-Hearn, Benjamin J Schwartz
Physical Review Letters
|
October 10, 2006
Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: understanding linear response failure for the photoexcited hydrated electron
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
April 26, 2005
The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
November 30, 2006
Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF)
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
January 6, 2006
Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
September 1, 2006
A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory
C Jay Smallwood, Ross E Larsen, William J Glover, et al.
The Journal of Physical Chemistry. A
|
May 29, 2007
The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study
Ilya A Shkrob, William J Glover, Ross E Larsen, et al.
ACS Omega
|
October 13, 2025
Controlling Ligand Excimer Formation with Dipole Changes in Emissive Rare-Earth/Phosphonic Acid Complexes
Justin C Johnson, Ross E Larsen, Iskander Douair, et al.
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Search research articles
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Showing results (11-20 of 27) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
April 22, 2010
First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem
William J Glover, Ross E Larsen, Benjamin J Schwartz
The Journal of Physical Chemistry. A
|
March 25, 2011
Simulating the formation of sodium:electron tight-contact pairs: watching the solvation of atoms in liquids one molecule at a time
William J Glover, Ross E Larsen, Benjamin J Schwartz
The Journal of Physical Chemistry. B
|
October 6, 2006
Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron
Ross E Larsen, Michael J Bedard-Hearn, Benjamin J Schwartz
Physical Review Letters
|
October 10, 2006
Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: understanding linear response failure for the photoexcited hydrated electron
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
April 26, 2005
The role of solvent structure in the absorption spectrum of solvated electrons: mixed quantum/classical simulations in tetrahydrofuran
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
November 30, 2006
Moving solvated electrons with light: nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF)
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
January 6, 2006
Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
Michael J Bedard-Hearn, Ross E Larsen, Benjamin J Schwartz
The Journal of Chemical Physics
|
September 1, 2006
A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory
C Jay Smallwood, Ross E Larsen, William J Glover, et al.
The Journal of Physical Chemistry. A
|
May 29, 2007
The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study
Ilya A Shkrob, William J Glover, Ross E Larsen, et al.
ACS Omega
|
October 13, 2025
Controlling Ligand Excimer Formation with Dipole Changes in Emissive Rare-Earth/Phosphonic Acid Complexes
Justin C Johnson, Ross E Larsen, Iskander Douair, et al.
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of 3