Explicitly correlated electrons in molecules
One of the central challenges of computational molecular investigation is the solution of the
time-independent, nonrelativistic BornÀ Oppenheimer electronic Schrödinger equation. For …
time-independent, nonrelativistic BornÀ Oppenheimer electronic Schrödinger equation. For …
Theory and application of explicitly correlated Gaussians
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 …
functions is one of the most powerful approaches currently used for calculating the …
Quantum electrodynamics effects in rovibrational spectra of molecular hydrogen
The dissociation energies from all rovibrational levels of H2 and D2 in the ground electronic
state are calculated with high accuracy by including relativistic and quantum …
state are calculated with high accuracy by including relativistic and quantum …
Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory
We present an accurate theoretical determination of rovibrational energy levels of the
hydrogen molecule and its isotopologues in its electronic ground state. We consider all …
hydrogen molecule and its isotopologues in its electronic ground state. We consider all …
Bounds on fifth forces from precision measurements on molecules
Highly accurate results from frequency measurements on neutral hydrogen molecules H 2,
HD, and D 2 as well as the HD+ ion can be interpreted in terms of constraints on possible …
HD, and D 2 as well as the HD+ ion can be interpreted in terms of constraints on possible …
Fundamental vibration of molecular hydrogen
The fundamental ground tone vibration of H 2, HD, and D 2 is determined to an accuracy
of<? format?> 2× 10-4 cm-1 from Doppler-free laser spectroscopy in the collisionless …
of<? format?> 2× 10-4 cm-1 from Doppler-free laser spectroscopy in the collisionless …
Born–Oppenheimer and non-Born–Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians
Since the early work of Hylleraas on the helium atom, 1 it has been common knowledge that,
to accurately account for the interaction between the electrons in an atom or a molecule …
to accurately account for the interaction between the electrons in an atom or a molecule …
[HTML][HTML] Physics beyond the Standard Model from hydrogen spectroscopy
Spectroscopy of hydrogen can be used for a search into physics beyond the Standard
Model. Differences between the absorption spectra of the Lyman and Werner bands of H 2 …
Model. Differences between the absorption spectra of the Lyman and Werner bands of H 2 …
The full infrared spectrum of molecular hydrogen
E Roueff, H Abgrall, P Czachorowski… - Astronomy & …, 2019 - aanda.org
Context. The high spectral resolution R∼ 45 000 provided by IGRINS (Immersion Grating
INfrared Spectrometer) at MacDonald Observatory and R∼ 100 000 achieved by CRIRES …
INfrared Spectrometer) at MacDonald Observatory and R∼ 100 000 achieved by CRIRES …
Improved ionization and dissociation energies of the deuterium molecule
The ionization energy of D 2 has been determined experimentally from measurements
involving two-photon Doppler-free vacuum-ultraviolet pulsed laser excitation and near …
involving two-photon Doppler-free vacuum-ultraviolet pulsed laser excitation and near …