The any particle molecular orbital (APMO) approach extends regular electronic structure
methods to study atomic and molecular systems in which electrons and other particles are …

LOWDIN is a computational program that implements the Any Particle Molecular Orbital
(APMO) method. The current version of the code encompasses Hartree–Fock, second‐order …

We recently extended the electron propagator theory to any type of quantum species based
in the framework of the Any-Particle Molecular Orbital (APMO) approach [J. Romero, E …

We report positron binding energies (PBEs) for the 20 standard amino acids in the global
minimum, hydrogen-bonded, and zwitterionic forms. The calculations are performed at the …

The foundations of the two-component quantum theory of atoms in molecules (TC-QTAIM)
are addressed in this contribution. In this regard, the theory is presented in an axiomatic …

We investigate hydrogen isotope and nuclear quantum effects on geometries and binding
energies of small protonated rare gas clusters (Rg _n X ^+, Rg= He, Ne, Ar, X= H, D, T, and …

Including nuclear quantum effects into highly correlated electronic structure calculations of
weakly bound systems | The Journal of Chemical Physics | AIP Publishing Skip to Main Content …

We propose a scheme to estimate hydrogen isotope effects on molecular polarizabilities.
This approach combines the any-particle molecular orbital method, in which both electrons …

The any particle molecular orbital grid-based Hartree-Fock approach (APMO-GBHF) is
proposed as an initial step to perform multi-component post-Hartree-Fock, explicitly …

Recently, several groups have extended and implemented molecular orbital (MO) schemes
to simultaneously obtain wave functions for electrons and selected nuclei. Many of these …