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The Thom Group

Non-Orthogonal Configuration Interaction

Related publications

Localized Spin Rotations: A Size-Consistent Approach to Nonorthogonal Configuration Interaction.
N Lee, AJW Thom
Journal of Chemical Theory and Computation
(2022)
18
710
(doi: 10.1021/acs.jctc.1c00862)
Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach.
HGA Burton, AJW Thom
Journal of Chemical Theory and Computation
(2020)
16
5586
(doi: 10.1021/acs.jctc.0c00468)
A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction
HGA Burton, A Thom
(2019)
(doi: 10.26434/chemrxiv.8089307.v1)
Modeling Electron Transfers Using Quasidiabatic Hartree-Fock States
KT Jensen, RL Benson, S Cardamone, AJW Thom
Journal of chemical theory and computation
(2018)
14
4629
(doi: 10.1021/acs.jctc.8b00379)
Holomorphic Hartree-Fock Theory: An Inherently Multireference Approach.
HGA Burton, AJW Thom
Journal of chemical theory and computation
(2015)
12
167
(doi: 10.1021/acs.jctc.5b01005)
Holomorphic Hartree–Fock Theory and Configuration Interaction
HG Hiscock, AJW Thom
Journal of Chemical Theory and Computation
(2014)
10
4795
(doi: 10.1021/ct5007696)
Hartree–Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction
AJW Thom, M Head-Gordon
Journal of Chemical Physics
(2009)
131
124113
(doi: 10.1063/1.3236841)
Yusuf Hamied Department of Chemistry
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enquiries@ch.cam.ac.uk
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