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Journal of Chemical Theory and Computation
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November 8, 2023
Analytic Non-adiabatic Couplings for Selected Configuration Interaction via Approximate Degenerate Coupled Perturbed Hartree-Fock
Jeremy P Coe
Journal of Chemical Theory and Computation
|
October 18, 2019
Machine Learning Configuration Interaction for ab Initio Potential Energy Curves
Jeremy P Coe
Journal of Chemical Theory and Computation
|
January 19, 2023
Analytic Gradients for Selected Configuration Interaction
Jeremy P Coe
Scientific Reports
|
January 14, 2018
Testing density-functional approximations on a lattice and the applicability of the related Hohenberg-Kohn-like theorem
Vivian V França, Jeremy P Coe, Irene D'Amico
Journal of Computational Chemistry
|
November 20, 2017
Development of spin-orbit coupling for stochastic configuration interaction techniques
Paul Murphy, Jeremy P Coe, Martin J Paterson
Journal of Chemical Theory and Computation
|
December 7, 2023
Modular Approach to Selected Configuration Interaction in an Arbitrary Spin Basis: Implementation and Comparison of Approaches
Andrew W Prentice, Jeremy P Coe, Martin J Paterson
The Journal of Chemical Physics
|
November 28, 2012
Calculations of potential energy surfaces using Monte Carlo configuration interaction
Jeremy P Coe, Daniel J Taylor, Martin J Paterson
The Journal of Chemical Physics
|
November 3, 2019
A systematic construction of configuration interaction wavefunctions in the complete CI space
Andrew W Prentice, Jeremy P Coe, Martin J Paterson
Journal of Computational Chemistry
|
January 22, 2013
Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities
Jeremy P Coe, Daniel J Taylor, Martin J Paterson
Journal of Computational Chemistry
|
September 3, 2017
Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group
Jeremy P Coe, Nuno M S Almeida, Martin J Paterson
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 8, 2023
Analytic Non-adiabatic Couplings for Selected Configuration Interaction via Approximate Degenerate Coupled Perturbed Hartree-Fock
Jeremy P Coe
Journal of Chemical Theory and Computation
|
October 18, 2019
Machine Learning Configuration Interaction for ab Initio Potential Energy Curves
Jeremy P Coe
Journal of Chemical Theory and Computation
|
January 19, 2023
Analytic Gradients for Selected Configuration Interaction
Jeremy P Coe
Scientific Reports
|
January 14, 2018
Testing density-functional approximations on a lattice and the applicability of the related Hohenberg-Kohn-like theorem
Vivian V França, Jeremy P Coe, Irene D'Amico
Journal of Computational Chemistry
|
November 20, 2017
Development of spin-orbit coupling for stochastic configuration interaction techniques
Paul Murphy, Jeremy P Coe, Martin J Paterson
Journal of Chemical Theory and Computation
|
December 7, 2023
Modular Approach to Selected Configuration Interaction in an Arbitrary Spin Basis: Implementation and Comparison of Approaches
Andrew W Prentice, Jeremy P Coe, Martin J Paterson
The Journal of Chemical Physics
|
November 28, 2012
Calculations of potential energy surfaces using Monte Carlo configuration interaction
Jeremy P Coe, Daniel J Taylor, Martin J Paterson
The Journal of Chemical Physics
|
November 3, 2019
A systematic construction of configuration interaction wavefunctions in the complete CI space
Andrew W Prentice, Jeremy P Coe, Martin J Paterson
Journal of Computational Chemistry
|
January 22, 2013
Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities
Jeremy P Coe, Daniel J Taylor, Martin J Paterson
Journal of Computational Chemistry
|
September 3, 2017
Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group
Jeremy P Coe, Nuno M S Almeida, Martin J Paterson
Page
of 2