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The Journal of Chemical Physics|March 11, 2025
Revealing correlation mechanisms through nonorthogonal multiconfiguration self-consistent field calculationsZihui Song, Jonathan S Bersson, Lee M Thompson
The Journal of Physical Chemistry. A|October 21, 2022
Role of Exact Exchange in Difference Projected Double-Hybrid Density Functional Theory for Treatment of Local, Charge Transfer, and Rydberg ExcitationsEmily M Kempfer-Robertson, Meagan N Haase, Jonathan S Bersson, et al.
Physical Chemistry Chemical Physics : PCCP|June 26, 2026
Accelerating geometry optimization <i>via</i> Grassmann-DIIS extrapolationZihui Song, Ka Un Lao
The Journal of Physical Chemistry. A|May 22, 2023
Calculated and Empirical Values of Vibronic Transition Dipole Moments of Reactive Chemical Intermediates for Determination of ConcentrationsIan W Jones, Jonathan S Bersson, Jinjun Liu, et al.
Optics Letters|August 2, 2024
Mid-infrared Doppler-free saturation absorption spectroscopy of the Q branch of CH<sub>4</sub>ν<sub>3 </sub>= 1 band using a rapid-scanning continuous-wave optical parametric oscillatorS M Shah Riyadh, Hamzeh Telfah, Ian W Jones, et al.
Nanomaterials (Basel, Switzerland)|December 11, 2022
Advanced Nanostructured Materials for Electrocatalysis in Lithium-Sulfur BatteriesZihui Song, Wanyuan Jiang, Xigao Jian, et al.
The Journal of Chemical Physics|November 24, 2018
Global elucidation of broken symmetry solutions to the independent particle model through a Lie algebraic approachLee M Thompson
The Journal of Chemical Physics|January 8, 2024
Time propagation of electronic wavefunctions using nonorthogonal determinant expansionsXinju Dong, Lee M Thompson
The Journal of Physical Chemistry. A|July 2, 2015
Modeling the Photoelectron Spectra of MoNbO2(-) Accounting for Spin Contamination in Density Functional TheoryLee M Thompson, Hrant P Hratchian
The Journal of Chemical Physics|July 9, 2021
Orbital optimization in nonorthogonal multiconfigurational self-consistent field applied to the study of conical intersections and avoided crossingsAndrew D Mahler, Lee M Thompson
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