Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

(2015) Andrew Sirjoosingh et al.   JOURNAL OF CHEMICAL PHYSICS

Beyond the Born-Oppenheimer approximation with quantum Monte Carlo methods

(2014) Norm M. Tubman et al.   PHYSICAL REVIEW A

Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation

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

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

Formation of HCN+ in Heterogeneous Reactions of N2+ and N+ with Surface Hydrocarbons

(2013) Martina Harnisch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Proton-Coupled Electron Transfer

(2012) David R. Weinberg et al.   CHEMICAL REVIEWS

Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach

(2011) Chaehyuk Ko et al.   JOURNAL OF CHEMICAL PHYSICS

Derivation of an Electron–Proton Correlation Functional for Multicomponent Density Functional Theory within the Nuclear–Electronic Orbital Approach

(2011) Andrew Sirjoosingh et al.   Journal of Chemical Theory and Computation

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Variational geminal-augmented multireference self-consistent field theory: Two-electron systems

(2010) Sergey A. Varganov et al.   JOURNAL OF CHEMICAL PHYSICS

Density matrix formulation of the nuclear-electronic orbital approach with explicit electron-proton correlation

(2008) Arindam Chakraborty et al.   JOURNAL OF CHEMICAL PHYSICS

Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions

(2008) Arindam Chakraborty et al.   JOURNAL OF CHEMICAL PHYSICS