Microscopic molecular superfluid response: theory and simulations
T Zeng, PN Roy - Reports on Progress in Physics, 2014 - iopscience.iop.org
Since its discovery in 1938, superfluidity has been the subject of much investigation
because it provides a unique example of a macroscopic manifestation of quantum …
because it provides a unique example of a macroscopic manifestation of quantum …
Rotational spectroscopic study of hydrogen cyanide embedded in small 4He clusters
SP Dempster, O Sukhorukov, QY Lei… - The Journal of chemical …, 2012 - pubs.aip.org
High resolution microwave spectra of the a-type, J= 1–0, transitions of He N= 1–6–H 12 C 14
N, He N= 1–6–H 13 C 14 N, He N= 1–6–H 12 C 15 N, He N= 1–7–D 12 C 14 N, and He N …
N, He N= 1–6–H 13 C 14 N, He N= 1–6–H 12 C 15 N, He N= 1–7–D 12 C 14 N, and He N …
Fingerprints of angulon instabilities in the spectra of matrix-isolated molecules
IN Cherepanov, M Lemeshko - Physical Review Materials, 2017 - APS
The formation of vortices is usually considered to be the main mechanism of angular
momentum disposal in superfluids. Recently, it was predicted that a superfluid can acquire …
momentum disposal in superfluids. Recently, it was predicted that a superfluid can acquire …
Simulating Asymmetric Top Impurities in Superfluid Clusters: A para-Water Dopant in para-Hydrogen
We present the first simulation study of bosonic clusters doped with an asymmetric top
molecule. The path-integral Monte Carlo method with the latest methodological advance in …
molecule. The path-integral Monte Carlo method with the latest methodological advance in …
Reactive path integral quantum simulations of molecules solvated in superfluid helium
Ł Walewski, H Forbert, D Marx - Computer Physics Communications, 2014 - Elsevier
A hybrid ab initio path integral molecular dynamics/bosonic path integral Monte Carlo
simulation method has been developed, implemented and tested, which allows for the …
simulation method has been developed, implemented and tested, which allows for the …
Diffusion Monte Carlo in internal coordinates
AS Petit, AB McCoy - The Journal of Physical Chemistry A, 2013 - ACS Publications
An internal coordinate extension of diffusion Monte Carlo (DMC) is described as a first step
toward a generalized reduced-dimensional DMC approach. The method places no …
toward a generalized reduced-dimensional DMC approach. The method places no …
Laser spectroscopy of helium solvated molecules: probing the inertial response
PL Raston - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Helium is the only solvent within which molecules can “freely” rotate, albeit with an
increased moment of inertia relative to the gas phase. Evidence for this can be obtained by …
increased moment of inertia relative to the gas phase. Evidence for this can be obtained by …
Rotovibrational spectroscopy of hydrogen peroxide embedded in superfluid helium nanodroplets
PL Raston, CJ Knapp, W Jäger - Physical Chemistry Chemical Physics, 2011 - pubs.rsc.org
We report the infrared depletion spectrum of para-and ortho-hydrogen peroxide embedded
in superfluid helium nanodroplets in the OH stretching region. Six transitions were observed …
in superfluid helium nanodroplets in the OH stretching region. Six transitions were observed …
Simultaneous Evaluation of Multiple Rotationally Excited States of H3+, H3O+, and CH5+ Using Diffusion Monte Carlo
AS Petit, JE Ford, AB McCoy - The Journal of Physical Chemistry …, 2014 - ACS Publications
An extension to diffusion Monte Carlo (DMC) is proposed for simultaneous evaluation of
multiple rotationally excited states of fluxional molecules. The method employs an …
multiple rotationally excited states of fluxional molecules. The method employs an …
[HTML][HTML] Quantum cascade laser spectroscopy of OCS isotopologues in 4He nanodroplets: A test of adiabatic following for a heavy rotor
T Faulkner, I Miller, PL Raston - The Journal of Chemical Physics, 2018 - pubs.aip.org
We report high-resolution infrared spectra of OCS isotopologues embedded in helium
nanodroplets that were recorded with a newly built spectrometer. For the normal …
nanodroplets that were recorded with a newly built spectrometer. For the normal …