Results 61 to 70 of about 203,361 (319)
Optimal conversion of Bose condensed atoms into molecules via a Feshbach resonance
, 2006 In many experiments involving conversion of quantum degenerate atomic gases into molecular dimers via a Feshbach resonance, an external magnetic field is linearly swept from above the resonance to below resonance.
Chris P. Search +4 more
core +1 more source
Machine Learning of Molecular Electronic Properties in Chemical Compound Space [PDF]
, 2013 The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property relationships.
Gobre, Vivekanand +7 more
core +5 more sources
Decomposition of Møller–Plesset Energies within the Quantum Theory of Atoms-in-Molecules
The Journal of Physical Chemistry A, 2018 We discuss two main approaches to decompose the Møller-Plesset perturbation theory molecular energies into atomic contributions within the interacting quantum atoms (IQA) formalism, as implemented in the programs Morphy and AIMAll. For this purpose, the so-called intraatomic energies (also known as self-energies) of a representative set of 55 small ...
Vincent Tognetti +4 more
openaire +4 more sources
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices [PDF]
, 2010 Several definitions of an atom in a molecule (AIM) in three-dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, Iringand multicenter ...
Bultinck, Patrick +4 more
core +1 more source
Welcome to Atoms: A New Open Access Journal
Atoms, 2012 There is no doubt that it is an exciting time to be studying quantum properties of atoms, molecules, and nuclei. Increasingly deep connections between long-established fields: “atomic physics”, “molecular physics”, “chemical physics”, “nuclear physics”, “
James F. Babb
doaj +1 more source
Molecular regimes in ultracold Fermi gases
, 2008 The use of Feshbach resonances for tuning the interparticle interaction in ultracold Fermi gases has led to remarkable developments, in particular to the creation and Bose-Einstein condensation of weakly bound diatomic molecules of fermionic atoms. These
Astrakharchik G.E. +12 more
core +1 more source
Laser pulses for coherent xuv Raman excitation [PDF]
, 2014 We combine multi-channel electronic structure theory with quantum optimal control to derive Raman pulse sequences that coherently populate a valence excited state. For a neon atom, Raman target populations of up to 13% are obtained. Superpositions of the
Greenman, Loren +2 more
core +3 more sources
Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma
Advanced Engineering Materials, EarlyView.The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie +4 more
wiley +1 more source
Food Chemistry Advances, 2023 The seeds of Mucuna pruriens (Mp) and Cajanus cajan (Cc) legumes are known to be rich in phenolic compounds (PC) that have various beneficial properties.
Beatriz I. Avalos +4 more
doaj +1 more source
Quantum rainbow scattering at tunable velocities
, 2012 Elastic scattering cross sections are measured for lithium atoms colliding with rare gas atoms and SF6 molecules at tunable relative velocities down to ~50 m/s. Our scattering apparatus combines a velocity-tunable molecular beam with a magneto-optic trap
B. Ruff +8 more
core +1 more source