Thirty years of astronomy
This review covers the work of the three decades since the first spectroscopic identification
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …
of the H 3+ molecular ion outside of the laboratory in 1988, in the auroral atmosphere of the …
Pre-Born–Oppenheimer molecular structure theory
E Mátyus - Molecular Physics, 2019 - Taylor & Francis
ABSTRACT In pre-Born–Oppenheimer (pre-BO) theory a molecule is considered as a
quantum system as a whole, including the electrons and the atomic nuclei on the same …
quantum system as a whole, including the electrons and the atomic nuclei on the same …
High-accuracy calculations of the rotation-vibration spectrum of
Calculation of the rotation-vibration spectrum of ${{\rm {H}}} _ {3}^{+} $, as well as of its
deuterated isotopologues, with near-spectroscopic accuracy requires the development of …
deuterated isotopologues, with near-spectroscopic accuracy requires the development of …
[HTML][HTML] Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born …
In this work, we describe a computer program called ATOM-MOL-nonBO for performing
bound state calculations of small atoms and molecules without assuming the Born …
bound state calculations of small atoms and molecules without assuming the Born …
Implementation of explicitly correlated complex Gaussian functions in calculations of molecular rovibrational J= 1 states without Born-Oppenheimer approximation
In our previous work (Bubin et al., 2016) it was established that complex explicitly-correlated
one-center all-particle Gaussian functions (CECGs) provide an effective basis set for very …
one-center all-particle Gaussian functions (CECGs) provide an effective basis set for very …
Explicitly Correlated Gaussian Functions and Rovibrational Spectra of Diatomic Molecules
K Jones - 2018 - repository.arizona.edu
Explicitly correlated Gaussian functions are implemented in order to calculate the
rovibrational spectra of various diatomic molecules with and without the Born-Oppenheimer …
rovibrational spectra of various diatomic molecules with and without the Born-Oppenheimer …
[PDF][PDF] Thirty years of H
H+ 3–the simplest polyatomic molecular ion–was discovered in laboratory discharges by JJ
Thomson in 1911 (Thomson, 1913). During the next seven decades, its stability, production …
Thomson in 1911 (Thomson, 1913). During the next seven decades, its stability, production …
Electronic Motion in Molecular Systems: From the Hydrogen Molecular Ion to Nanostructures
V Pohl - 2017 - refubium.fu-berlin.de
The analysis and visualization of electron dynamics in molecular systems represents an
effective means to gain deeper understanding of various physical and chemical processes …
effective means to gain deeper understanding of various physical and chemical processes …