Multicomponent equation-of-motion coupled cluster singles and doubles: Theory and calculation of excitation energies for positronium hydride

Reference Energies for Double Excitations

(2019) Pierre-François Loos et al.   Journal of Chemical Theory and Computation

Binding Matter with Antimatter: The Covalent Positron Bond

(2018) Jorge Charry et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies

(2018) Yang Yang et al.   Journal of Physical Chemistry Letters

Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory

(2018) Kurt R. Brorsen et al.   JOURNAL OF CHEMICAL PHYSICS

Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework

(2018) Fabijan Pavošević et al.   Journal of Chemical Theory and Computation

Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities

(2017) Yang Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of Many-Body Correlation in Biexcitonic Systems Using Electron–Hole Multicomponent Coupled-Cluster Theory

(2017) Benjamin H. Ellis et al.   Journal of Physical Chemistry C

Multicomponent Density Functional Theory: Impact of Nuclear Quantum Effects on Proton Affinities and Geometries

(2017) Kurt R. Brorsen et al.   Journal of Physical Chemistry Letters

Tuning the Ultrafast Dynamics of Photoinduced Proton-Coupled Electron Transfer in Energy Conversion Processes

(2017) Puja Goyal et al.   ACS Energy Letters

A new approach to approximate equation-of-motion coupled cluster with triple excitations

(2016) Devin A. Matthews et al.   JOURNAL OF CHEMICAL PHYSICS

Development of the Multicomponent Coupled-Cluster Theory for Investigation of Multiexcitonic Interactions

(2015) Benjamin H. Ellis et al.   Journal of Chemical Theory and Computation

Electron-nucleus correlation functional for multicomponent density-functional theory

(2014) Taro Udagawa et al.   PHYSICAL REVIEW A

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Applications to positronic molecular systems

(2013) Andrew Sirjoosingh et al.   JOURNAL OF CHEMICAL PHYSICS

Born–Oppenheimer and Non-Born–Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians

(2012) Sergiy Bubin et al.   CHEMICAL REVIEWS

Coupled-cluster theory and its equation-of-motion extensions

(2011) Rodney J. Bartlett   Wiley Interdisciplinary Reviews-Computational Molecular Science

Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect

(2009) Takayoshi Ishimoto et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

(2008) Anna I. Krylov   Annual Review of Physical Chemistry

Theoretical investigation of isotope effects: The any-particle molecular orbital code

(2008) Sergio A. González et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Modeling Positrons in Molecular Electronic Structure Calculations with the Nuclear-Electronic Orbital Method

(2008) Paul E. Adamson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of Electron-Proton Density Functionals for Multicomponent Density Functional Theory

(2008) Arindam Chakraborty et al.   PHYSICAL REVIEW LETTERS