List of works - Chad E Hoyer

A Two-Coordinate Manganese(0) Complex with an Unsupported Mn–Mg Bond: Allowing Access to Low Coordinate Homo- and Heterobimetallic Compounds

scientific article published on 27 March 2014

Analytic Gradients for Complete Active Space Pair-Density Functional Theory

scientific article

Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)].

scientific article published in January 2016

Controversial electronic structures and energies of Fe2, ${\rm Fe}_2^ +$ Fe 2+, and ${\rm Fe}_2^ -$ Fe 2− resolved by RASPT2 calculations

Correction to "Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions".

scientific article published on 7 December 2015

Correction to Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

scientific article published on 4 December 2015

Diabatization based on the dipole and quadrupole: The DQ method

scientific article published on 01 September 2014

Embedding non-collinear two-component electronic structure in a collinear quantum environment

scientific article published on 01 May 2019

Molcas8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

scientific article (publication date: 12 November 2015)

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

article

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

scientific article published on 23 July 2015

Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions

scientific article published on 07 October 2015

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

scientific article published on 21 December 2016

Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole

scientific article published on 12 August 2015

OpenMolcas: From Source Code to Insight

scientific article published on 01 October 2019

Relativistic two-component projection-based quantum embedding for open-shell systems

scientific article published on 01 September 2020

State-interaction pair-density functional theory

scientific article published on 01 July 2018

The DQ and DQΦ electronic structure diabatization methods: Validation for general applications