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Journal of Chemical Theory and Computation|May 19, 2025
Second-Order Complete Active Space Perturbation Theory (CASPT2) and N-Electron Valence State Perturbation Theory (NEVPT2) Based on Adaptive Sampling Configuration Interaction Self-Consistent Field (ASCI-SCF)Kyeong Su Min, Jae Woo ParkChemical Communications (Cambridge, England)|November 23, 2022
Riboflavin-catalyzed templated reaction to translate nucleic acid cues into signals of rhodamine derivativesHokyung Kim, Hayeon Choi, Kyeong Su Min, et al.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 OptimizationJae Woo ParkJournal of Chemical Theory and Computation|September 28, 2021
Analytical Gradient Theory for Resolvent-Fitted Second-Order Extended Multiconfiguration Perturbation Theory (XMCQDPT2)Jae Woo ParkJournal 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 OptimizationsJae Woo ParkPhysical Chemistry Chemical Physics : PCCP|February 3, 2025
Analytical nuclear gradient and derivative coupling theories for multireference perturbation methodsJae Woo ParkJournal of Chemical Theory and Computation|December 5, 2019
Analytical Gradient Theory for Quasidegenerate N-Electron Valence State Perturbation Theory (QD-NEVPT2)Jae Woo ParkJournal of Chemical Theory and Computation|September 11, 2019
Analytical Gradient Theory for Strongly Contracted (SC) and Partially Contracted (PC) N-Electron Valence State Perturbation Theory (NEVPT2)Jae Woo ParkJournal of Chemical Theory and Computation|August 23, 2023
Dynamic Correlation on the Adaptive Sampling Configuration Interaction (ASCI) Reference Function: ASCI-DSRG-MRPT2Jae Woo ParkJournal 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 ParkPageof 35