Last Updated: 09/26/2026
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Found 10 publications
Different flavors of exact-factorization-based mixed quantum-classical methods for multistate dynamics.
Journal: Physical chemistry chemical physics : PCCP
Published: September 26, 2023
Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory.
Journal: The journal of physical chemistry letters
Published: March 27, 2023
Nonadiabatic Dynamics of Hydrogen Tunneling with Nuclear-Electronic Orbital Multistate Density Functional Theory.
Journal: Journal of chemical theory and computation
Published: November 15, 2022
Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies.
Journal: Journal of chemical theory and computation
Published: July 14, 2021
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.
Journal: The Journal of chemical physics
Published: May 17, 2020
Synthesis of LnII -in-Cryptand Complexes by Chemical Reduction of LnIII -in-Cryptand Precursors: Isolation of a NdII -in-Cryptand Complex.
Journal: Angewandte Chemie (International ed. in English)
Published: May 03, 2020
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation.
Journal: Physical chemistry chemical physics : PCCP
Published: August 30, 2019
5-Methoxyquinoline Photobasicity Is Mediated by Water Oxidation.
Journal: The journal of physical chemistry. A
Published: July 11, 2019
Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines.
Journal: Journal of chemical information and modeling
Published: May 08, 2019
Unphysical divergences in response theory.
Journal: The Journal of chemical physics
Published: October 27, 2016
Showing 1-10 of 10
Last Updated: 09/26/2026