List of works - Edward G Hohenstein

Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions

scientific article published on 2 December 2010

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

scientific article published in September 2017

Effect of Nonplanarity on Excited-State Proton Transfer and Internal Conversion in Salicylideneaniline

scientific article published on 15 June 2018

Excited-State Dynamics of 2-(2'-Hydroxyphenyl)Benzothiazole: Ultrafast Proton Transfer and Internal Conversion.

scientific article published on 8 June 2017

Excited-State Dynamics of a Benzotriazole Photostabilizer: 2-(2'-Hydroxy-5'-methylphenyl)benzotriazole.

scientific article published on 7 August 2017

Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation

scientific article published on 01 July 2020

I<scp>ntera</scp>C<scp>hem</scp>: Exploring Excited States in Virtual Reality with <i>Ab Initio</i> Interactive Molecular Dynamics

scientific article published on 01 June 2022

Improved Complete Active Space Configuration Interaction Energies with a Simple Correction from Density Functional Theory

scientific article published on 3 February 2017

Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method.

scientific article published on 5 December 2017

Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States

scientific article published on 23 November 2020

Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory

scientific article published on 09 October 2021

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

Psi4: an open-source ab initio electronic structure program

article

Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions

scientific article published on 01 April 2019

Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles

scientific article published on 01 October 2019

Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

scientific article published on 3 August 2017

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

scientific article published on 01 June 2020

List of works by Edward G Hohenstein