A quantum chemical definition of electron–nucleus correlation

Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method

(2015) Patrick Cassam-Chenaï et al.   PHYSICAL REVIEW A

Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of ditritium using all-particle explicitly correlated Gaussian functions

(2014) Sergiy Bubin et al.   JOURNAL OF CHEMICAL PHYSICS

Electron-nucleus correlation functional for multicomponent density-functional theory

(2014) Taro Udagawa et al.   PHYSICAL REVIEW A

SOLVING THE NON-BORN-OPPENHEIMER SCHRÖDINGER EQUATION FOR THE HYDROGEN MOLECULAR ION WITH THE FREE COMPLEMENT METHOD. II. HIGHLY ACCURATE ELECTRONIC, VIBRATIONAL, AND ROTATIONAL EXCITED STATES

(2013) Hiroyuki Nakashima et al.   ASTROPHYSICAL JOURNAL

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

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

Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems

(2013) Néstor F. Aguirre et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular structure calculations: A unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation

(2012) Edit Mátyus et al.   JOURNAL OF CHEMICAL PHYSICS

Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation

(2012) Andrew Sirjoosingh et al.   JOURNAL OF CHEMICAL PHYSICS

Rigorous non-Born-Oppenheimer theory: Combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory

(2011) Minoru Hoshino et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Extracting elements of molecular structure from the all-particle wave function

(2011) Edit Mátyus et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate non-Born–Oppenheimer calculations of the lowest vibrational energies of D2 and T2 with including relativistic corrections

(2010) Sergiy Bubin et al.   CHEMICAL PHYSICS LETTERS

Conditional probability amplitude analysis of coupled harmonic oscillators

(2010) Geoffrey Hunter   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Non-adiabatic corrections to the energies of the pure vibrational states of H2

(2009) Sergiy Bubin et al.   CHEMICAL PHYSICS LETTERS

Nuclear quantum effects on the He2H+complex with the nuclear molecular orbital approach

(2009) Sergio A. González et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Solving non-Born–Oppenheimer Schrödinger equation for hydrogen molecular ion and its isotopomers using the free complement method

(2009) Yuh Hijikata et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic corrections to rovibrational levels of H2

(2009) Krzysztof Pachucki 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

Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: Application to isotopomers of the hydrogen molecule

(2008) Takayoshi Ishimoto et al.   JOURNAL OF CHEMICAL PHYSICS

Multicomponent density-functional theory for electrons and nuclei

(2008) Thomas Kreibich et al.   PHYSICAL REVIEW A