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 …

We summarize in this article the recent progress made in our laboratories in the
development of numerical approaches dedicated to investigating ultrafast physicochemical …

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 …

This work presents an extension of the projector operator embedding scheme of Manby et
al.[J. Chem. Theory Comput. 8, 2564 (2012)] in a multicomponent (MC) framework. Here, a …

Multicomponent Density Functional Theory (MDFT) is a promising methodology to
incorporate nuclear quantum effects, such as zero-point energy or tunneling, or to simulate …

In this work, we present a non-orthogonal configuration interaction (NOCI) approach to
address the rotational corrections in multicomponent quantum chemistry calculations where …

Any-Particle Molecular Orbital/Hartree–Fock (APMO/HF) calculations are performed for a
variety of atoms and simple diatomic molecular systems containing one and two negative …

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 …