List of works - Evgeny Epifanovsky

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

scientific article published on 31 December 2013

A General Sparse Tensor Framework for Electronic Structure Theory.

scientific article

A New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

scientific article published on 15 February 2019

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

scientific article published in July 2014

Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: theory, implementation, and examples

scientific article published in March 2013

Correction to "A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach".

scientific article published on 15 September 2015

Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom

scientific article published on 24 July 2018

Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)].

scientific article published in October 2015

Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and π-Stacking on the Ionization Energy of Adenine in the AATT Tetramer

scientific article published on 11 September 2012

General framework for calculating spin-orbit couplings using spinless one-particle density matrices: Theory and application to the equation-of-motion coupled-cluster wave functions

scientific article published on 01 July 2019

General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks

scientific article published in October 2013

Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks

scientific article published on 01 July 2019

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

scientific article published on 01 May 2019

New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations

scientific article

On the electronically excited states of uracil

scientific article

Photodissociation Dynamics of Formaldehyde Initiated at the T1/S0Minimum Energy Crossing Configurations

scientific article published on 01 December 2008

Products of the benzene + O(3P) reaction

scientific article

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase

scientific article published on 25 June 2009

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water.

scientific article published in July 2009

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations

scientific article

Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations

scientific article published in August 2015

List of works by Evgeny Epifanovsky

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

A General Sparse Tensor Framework for Electronic Structure Theory.

A New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

Complex-scaled equation-of-motion coupled-cluster method with single and double substitutions for autoionizing excited states: theory, implementation, and examples

Correction to "A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach".

Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom

Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)].

Four Bases Score a Run: Ab Initio Calculations Quantify a Cooperative Effect of H-Bonding and π-Stacking on the Ionization Energy of Adenine in the AATT Tetramer

General framework for calculating spin-orbit couplings using spinless one-particle density matrices: Theory and application to the equation-of-motion coupled-cluster wave functions

General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks

Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States

New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations

On the electronically excited states of uracil

Photodissociation Dynamics of Formaldehyde Initiated at the T1/S0Minimum Energy Crossing Configurations

Products of the benzene + O(3P) reaction

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore. 1. Electronically Excited and Ionized States of the Anionic Chromophore in the Gas Phase

Quantum Chemical Benchmark Studies of the Electronic Properties of the Green Fluorescent Protein Chromophore: 2. Cis-Trans Isomerization in Water.

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations

Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations