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Journal of Chemical Theory and Computation|September 2, 2022
Revisiting the Orbital Energy-Dependent Regularization of Orbital-Optimized Second-Order Møller-Plesset TheoryAdam Rettig, James Shee, Joonho Lee, et al.Journal of Chemical Theory and Computation|January 11, 2017
Coupled-Cluster Valence-Bond Singles and Doubles for Strongly Correlated Systems: Block-Tensor Based Implementation and Application to OligoacenesJoonho Lee, David W Small, Evgeny Epifanovsky, et al.Journal of Chemical Theory and Computation|August 12, 2021
Exploring the Limits of Second- and Third-Order Møller-Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference OrbitalsMatthias Loipersberger, Luke W Bertels, Joonho Lee, et al.Physical Review Letters|October 2, 2019
Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry DilemmaJoonho Lee, Luke W Bertels, David W Small, et al.Journal of Chemical Theory and Computation|November 29, 2018
Generalized Unitary Coupled Cluster Wave functions for Quantum ComputationJoonho Lee, William J Huggins, Martin Head-Gordon, et al.The Journal of Physical Chemistry Letters|December 15, 2021
Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational CostJames Shee, Matthias Loipersberger, Adam Rettig, et al.Journal of Chemical Theory and Computation|December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set LimitJoonho Lee, Adam Rettig, Xintian Feng, et al.The Journal of Chemical Physics|July 9, 2021
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuitionJames Shee, Matthias Loipersberger, Diptarka Hait, et al.Physical Chemistry Chemical Physics : PCCP|December 23, 2020
A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energiesSrimukh Prasad Veccham, Joonho Lee, Yuezhi Mao, et al.The Journal of Chemical Physics|July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.Pageof 735