scholarly journals Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

1998 ◽  
Author(s):  
Ivan Yourshaw
Keyword(s):  
Kinetic Energy ◽  
Negative Ion ◽  
Rare Gas ◽  
Many Body ◽  
Electron Kinetic Energy ◽  
Atom Clusters ◽  
Many Body Interactions

Zero electron kinetic energy and threshold photodetachment spectroscopy of XenI− clusters (n=2–14): Binding, many-body effects, and structures

1999 ◽  
Vol 110 (14) ◽  
pp. 6714-6731 ◽  
Author(s):  
Thomas Lenzer ◽  
Michael R. Furlanetto ◽  
Nicholas L. Pivonka ◽  
Daniel M. Neumark
Keyword(s):  
Kinetic Energy ◽  
Many Body ◽  
Electron Kinetic Energy ◽  
Many Body Effects

Effect of many-body interactions on the stability of rare-gas halides

1973 ◽  
Vol 7 (2) ◽  
pp. 155-171 ◽  
Author(s):  
E. Lombardi ◽  
R. Ritter ◽  
L. Jansen
Keyword(s):  
Rare Gas ◽  
Many Body ◽  
The Stability ◽  
Many Body Interactions

Study of In2P/In2P− and InP2/InP2− using negative ion zero electron kinetic energy spectroscopy

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1322-1335 ◽  
Author(s):  
Caroline C. Arnold ◽  
Daniel M. Neumark
Keyword(s):  
Excited State ◽  
Kinetic Energy ◽  
Ground State ◽  
Photoelectron Spectra ◽  
Negative Ion ◽  
Electron Affinities ◽  
Electron Kinetic Energy ◽  
First Excited State ◽  
State Frequency ◽  
Term Energy

The zero electron kinetic energy (ZEKE) spectra of In2P− and InP2− are presented and compared to their previously obtained photoelectron spectra (PES) as well as ab initio calculations on analogous species. The threshold spectra, which give high-accuracy electron affinities of 2.400 ± 0.001 eV for In2P and 1.617 ± 0.001 eV for InP2, show well-resolved vibrational structure in the transitions from the ground anion states to the various neutral states. The ZEKE spectrum of In2P− exhibits a fairly extended, 47 cm−1 progression that we assign to the symmetric bend (ν2) in the ground 2B2 neutral state. There is also a 204 cm−1 progression that we assign to the symmetric stretch. The InP2− ZEKE spectrum shows transitions to two electronic states of the neutral. For the ground state, the symmetric stretch mode is the most active in the spectrum, whereas in the excited state, the symmetric bend mode is most active. The InP2 ground-state symmetric stretch frequency is 190 cm−1, and the excited-state symmetric bend frequency is 287 cm−1. An anion ground-state frequency is determined to be 227 cm−1. The term energy of the excited state is determined to be 1.280 ± 0.001 eV. Based on molecular orbital arguments, these frequencies suggest a 2B2 ground InP2 state, a 2A1 first excited state, and a 1A1 anion ground state.

Study of the low‐lying states of Ge2 and Ge−2 using negative ion zero electron kinetic energy spectroscopy

1995 ◽  
Vol 102 (18) ◽  
pp. 6982-6989 ◽  
Author(s):  
Caroline C. Arnold ◽  
Cangshan Xu ◽  
Gordon R. Burton ◽  
Daniel M. Neumark
Keyword(s):  
Kinetic Energy ◽  
Negative Ion ◽  
Electron Kinetic Energy

Many-body interactions in rare-gas solid mixtures

1983 ◽  
Vol 16 (18) ◽  
pp. 3409-3423 ◽  
Author(s):  
R K Singh ◽  
D K Neb ◽  
S P Sanyal
Keyword(s):  
Rare Gas ◽  
Many Body ◽  
Many Body Interactions

Negative Ion Zero Electron Kinetic Energy Spectroscopy of I-.cntdot.CH3I

1995 ◽  
Vol 99 (6) ◽  
pp. 1633-1636 ◽  
Author(s):  
Caroline C. Arnold ◽  
Daniel M. Neumark ◽  
Donna M. Cyr ◽  
Mark A. Johnson
Keyword(s):  
Kinetic Energy ◽  
Negative Ion ◽  
Electron Kinetic Energy

Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures

2020 ◽  
Author(s):  
Marc Riera ◽  
Alan Hirales ◽  
Raja Ghosh ◽  
Francesco Paesani
Keyword(s):  
Liquid Phase ◽  
Quantitative Description ◽  
Liquid Mixtures ◽  
Many Body ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Dynamics Simulations ◽  
Body Potential ◽  
Small Clusters ◽  
Many Body Interactions

<div> <div> <div> <p>Many-body potential energy functions (PEFs) based on the TTM-nrg and MB-nrg theoretical/computational frameworks are developed from coupled cluster reference data for neat methane and mixed methane/water systems. It is shown that that the MB-nrg PEFs achieve subchemical accuracy in the representation of individual many-body effects in small clusters and enables predictive simulations from the gas to the liquid phase. Analysis of structural properties calculated from molecular dynamics simulations of liquid methane and methane/water mixtures using both TTM-nrg and MB-nrg PEFs indicates that, while accounting for polarization effects is important for a correct description of many-body interactions in the liquid phase, an accurate representation of short-range interactions, as provided by the MB-nrg PEFs, is necessary for a quantitative description of the local solvation structure in liquid mixtures. </p> </div> </div> </div>

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