Excitons, trions, biexcitons, and exciton-trion complexes in two-dimensional transition metal
dichalcogenide sheets of MoS 2, MoSe 2, MoTe 2, WS 2, and WSe 2 are studied by means …

Endothermic reactions such as S+(4 S)+ H 2 are not expected to play a significant role in the
chemistry of the interstellar medium (ISM). However, in some specific environments, such as …

The path integral formulation of quantum mechanics, ie, the idea that the evolution of a
quantum system is determined as a sum over all the possible trajectories that would take the …

In this article we present the rotational excitation cross sections of N 2 by positron impact for
energies between 1 and 10 eV. The cross sections were computed in the adiabatic …

The static dipole polarizabilities of the first three lowest states of hydrogen molecules H 2,
HD, and D 2 are calculated using variationally generated wave functions in Hylleraas …

The nonlinear optical properties of matter have a broad relevance and many methods have
been invented to compute them from first principles. However, the effects of electronic …

We demonstrate computation of total dynamic multipole polarizabilities using path-integral
Monte Carlo method (PIMC). The PIMC approach enables accurate thermal and …

Two computational schemes were investigated for studying vibronic models of nonadiabatic
systems: Path Integral Monte Carlo (PIMC) and vibrational electronic coupled cluster …

In this work, we propose new field-free estimators of static field-gradient polarizabilities for
finite temperature path-integral Monte Carlo method. Namely, dipole–quadrupole …

Diamagnetism is the response of dynamical compositions of charged particles, electrons,
and nuclei, to an incident magnetic field. In this paper, we study how the finite temperature …