Since the achievement of quantum degeneracy in gases of chromium atoms in 2004, the
experimental investigation of ultracold gases made of highly magnetic atoms has …

One of the central challenges of computational molecular investigation is the solution of the
time-independent, nonrelativistic BornÀ Oppenheimer electronic Schrödinger equation. For …

Intense laser-matter interactions are at the center of interest in research and technology
since the development of high-power lasers. They have been widely used for fundamental …

The electrochemical CO2 reduction reaction to form valued hydrocarbon molecules is an
attractive process, because it can be coupled with renewable energy resources for carbon …

The variational method complemented with the use of explicitly correlated Gaussian basis
functions is one of the most powerful approaches currently used for calculating the …

This perspective article discusses some broadly-known and some less broadly-known
consequences of Einstein's special relativity in quantum chemistry, and provides a brief …

The adiabatic, relativistic, and quantum electrodynamics (QED) contributions to the pair
potential of helium were computed, fitted separately, and applied, together with the …

Total internal partition sums (TIPS) are reported for the 181 isotopologues of 57 molecules
important in planetary atmospheres. Molecules 1 to 55, with the exception of# 34 atomic …

Relativistic quantum chemistry has evolved into a fertile and large field and is now becoming
an integrated part of mainstream chemistry. Yet, given the much-involved physics and …

Total internal partition sums (TIPS) are reported for 166 isotopologues of 51 molecules
important in planetary atmospheres. Molecules 1 to 50 are taken from the HITRAN2016 list …