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Correction to "Variational Relativistic Two-Component Complete-Active-Space Self-Consistent Field Method".
2020
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
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Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Variational Localized Active Space Self-Consistent Field Method.
August 2020, Journal of chemical theory and computation,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Large-scale relativistic complete active space self-consistent field with robust convergence.
July 2018, The Journal of chemical physics,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods.
May 2016, Journal of chemical theory and computation,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Applying Generalized Variational Principles to Excited-State-Specific Complete Active Space Self-consistent Field Theory.
November 2022, Journal of chemical theory and computation,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory.
September 2017, Journal of chemical theory and computation,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory.
November 2019, Journal of chemical theory and computation,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Fully relativistic complete active space self-consistent field for large molecules: quasi-second-order minimax optimization.
January 2015, The Journal of chemical physics,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atoms.
October 2013, The Journal of chemical physics,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
A direct relativistic four-component multiconfiguration self-consistent-field method for molecules.
July 2008, The Journal of chemical physics,
Andrew J Jenkins, and Hongbin Liu, and Joseph M Kasper, and Michael J Frisch, and Xiaosong Li
Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential.
October 2014, The Journal of chemical physics,
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