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Journal of Chemical Theory and Computation
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September 11, 2019
Analytical Gradient Theory for Strongly Contracted (SC) and Partially Contracted (PC) <i>N</i>-Electron Valence State Perturbation Theory (NEVPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
August 23, 2023
Dynamic Correlation on the Adaptive Sampling Configuration Interaction (ASCI) Reference Function: ASCI-DSRG-MRPT2
Jae Woo Park
Journal of Chemical Theory and Computation
|
September 28, 2021
Analytical Gradient Theory for Resolvent-Fitted Second-Order Extended Multiconfiguration Perturbation Theory (XMCQDPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
March 1, 2022
Analytical Gradient Theory for Spin-Free State-Averaged Second-Order Driven Similarity Renormalization Group Perturbation Theory (SA-DSRG-MRPT2) and Its Applications for Conical Intersection Optimizations
Jae Woo Park
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2025
Analytical nuclear gradient and derivative coupling theories for multireference perturbation methods
Jae Woo Park
Journal of Chemical Theory and Computation
|
December 5, 2019
Analytical Gradient Theory for Quasidegenerate <i>N</i>-Electron Valence State Perturbation Theory (QD-NEVPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
February 25, 2021
Second-Order Orbital Optimization with Large Active Spaces Using Adaptive Sampling Configuration Interaction (ASCI) and Its Application to Molecular Geometry Optimization
Jae Woo Park
Journal of Chemical Theory and Computation
|
June 7, 2021
Near-Exact CASSCF-Level Geometry Optimization with a Large Active Space using Adaptive Sampling Configuration Interaction Self-Consistent Field Corrected with Second-Order Perturbation Theory (ASCI-SCF-PT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
May 17, 2019
Single-State Single-Reference and Multistate Multireference Zeroth-Order Hamiltonians in MS-CASPT2 and Conical Intersections
Jae Woo Park
Journal of Chemical Theory and Computation
|
August 14, 2020
Analytical First-Order Derivatives of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory (XMCQDPT2): Implementation and Application
Jae Woo Park
Page
of 36
Search research articles
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Showing results (1-10 of 351) with videos related to
Sort By:
Page
of 36
Journal of Chemical Theory and Computation
|
September 11, 2019
Analytical Gradient Theory for Strongly Contracted (SC) and Partially Contracted (PC) <i>N</i>-Electron Valence State Perturbation Theory (NEVPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
August 23, 2023
Dynamic Correlation on the Adaptive Sampling Configuration Interaction (ASCI) Reference Function: ASCI-DSRG-MRPT2
Jae Woo Park
Journal of Chemical Theory and Computation
|
September 28, 2021
Analytical Gradient Theory for Resolvent-Fitted Second-Order Extended Multiconfiguration Perturbation Theory (XMCQDPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
March 1, 2022
Analytical Gradient Theory for Spin-Free State-Averaged Second-Order Driven Similarity Renormalization Group Perturbation Theory (SA-DSRG-MRPT2) and Its Applications for Conical Intersection Optimizations
Jae Woo Park
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2025
Analytical nuclear gradient and derivative coupling theories for multireference perturbation methods
Jae Woo Park
Journal of Chemical Theory and Computation
|
December 5, 2019
Analytical Gradient Theory for Quasidegenerate <i>N</i>-Electron Valence State Perturbation Theory (QD-NEVPT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
February 25, 2021
Second-Order Orbital Optimization with Large Active Spaces Using Adaptive Sampling Configuration Interaction (ASCI) and Its Application to Molecular Geometry Optimization
Jae Woo Park
Journal of Chemical Theory and Computation
|
June 7, 2021
Near-Exact CASSCF-Level Geometry Optimization with a Large Active Space using Adaptive Sampling Configuration Interaction Self-Consistent Field Corrected with Second-Order Perturbation Theory (ASCI-SCF-PT2)
Jae Woo Park
Journal of Chemical Theory and Computation
|
May 17, 2019
Single-State Single-Reference and Multistate Multireference Zeroth-Order Hamiltonians in MS-CASPT2 and Conical Intersections
Jae Woo Park
Journal of Chemical Theory and Computation
|
August 14, 2020
Analytical First-Order Derivatives of Second-Order Extended Multiconfiguration Quasi-Degenerate Perturbation Theory (XMCQDPT2): Implementation and Application
Jae Woo Park
Page
of 36