HEAVY PARTICLE RADIOACTIVITIES

2007 ◽  
Vol 16 (04) ◽  
pp. 995-1007
Author(s):  
D. N. POENARU ◽  
R. A. GHERGHESCU ◽  
I. H. PLONSKI ◽  
W. GREINER
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Energy Levels ◽  
Heavy Particle ◽  
Deformation Energy ◽  
Decay Modes ◽  
Shell Effects ◽  
Mass Asymmetry ◽  
First Time

The potential energy surface for binary decay modes of 228 Th versus the distance between the fragment centers and the mass asymmetry is calculated by using the macroscopic-microscopic model with energy levels obtained within the most advanced asymmetric two center shell model. The valley due to 20 O radioactivity is evidenced as a result of the very strong shell effects due to the doubly magic daughter 208 Pb . For the first time the potential barrier of this decay mode is produced by adding the shell and pairing corrections to the phenomenological deformation energy. The half-lives of cluster emitters predicted by the analytical superasymmetric fission model have been confirmed in all measurements performed until now.

Theoretical study of the Cl(2P) + SiH4 reaction: Global potential energy surface and product pair-correlated distributions. Comparison with experiment.

2021 ◽  
Author(s):  
J. Espinosa-Garcia ◽  
Jose Carlos Corchado
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Theoretical Study ◽  
Title Reaction ◽  
Comparison With Experiment ◽  
Explicitly Correlated ◽  
High Level ◽  
First Time ◽  
Product Pair

For the theoretical study of the title reaction, an analytical full-dimensional potential energy surface named PES-2021 was developed for the first time, by fitting high-level explicitly-correlated ab initio data. This...

scholarly journals Anab initiobased full-dimensional potential energy surface for OH + O2⇄ HO3and low-lying vibrational levels of HO3

2019 ◽  
Vol 21 (25) ◽  
pp. 13766-13775 ◽  
Author(s):  
Xixi Hu ◽  
Junxiang Zuo ◽  
Changjian Xie ◽  
Richard Dawes ◽  
Hua Guo ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Vibrational Levels ◽  
Vibrational Energy Levels

A full-dimensional potential energy surface for HO3, including the HO + O2dissociation asymptote, is developed and rigorous quantum dynamics calculations based on this PES have been carried out to compute the vibrational energy levels of HO3.

Vibration energy levels of the PH3, PH2D, and PHD2 molecules calculated from high order potential energy surface

2009 ◽  
Vol 130 (24) ◽  
pp. 244312 ◽  
Author(s):  
Andrei V. Nikitin ◽  
Filip Holka ◽  
Vladimir G. Tyuterev ◽  
Julien Fremont
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Energy Levels ◽  
High Order ◽  
Vibration Energy

Calculation of Rotation–Vibration Energy Levels of the Water Molecule with Near-Experimental Accuracy Based on an ab Initio Potential Energy Surface

2013 ◽  
Vol 117 (39) ◽  
pp. 9633-9643 ◽  
Author(s):  
Oleg L. Polyansky ◽  
Roman I. Ovsyannikov ◽  
Aleksandra A. Kyuberis ◽  
Lorenzo Lodi ◽  
Jonathan Tennyson ◽  
...  
Keyword(s):  
Water Molecule ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Energy Levels ◽  
Vibration Energy ◽  
Experimental Accuracy

scholarly journals Computational study of the rovibrational spectrum of H2O-HF

2021 ◽  
Author(s):  
Dominika VIGLASKA ◽  
Xiao-Gang Wang ◽  
Tucker CARRINGTON ◽  
David Tew
Keyword(s):  
Experimental Data ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Computational Study ◽  
Energy Levels ◽  
Dissociation Limit ◽  
Lanczos Algorithm ◽  
Vibrational States

In this paper we report rovibrational energy levels, transition frequencies, and intensities computed for H2O-HF using a new ab initio potential energy surface and compare with available experimental data. We use the rigid monomer approximation. A G4 symmetry-adapted Lanczos algorithm and an uncoupled product basis are employed. The rovibrational levels are computed up to J = 4. The new analytic 9-D potential is �t to 39771 counterpoise corrected CCSD(T)(F12*)/augcc- pVTZ energies and reduces to the sum of uncoupled H2O and HF potentials in the dissociation limit. On the new potential better agreement with experiment is obtained by re-assigning the R(1) transitions of two vibrational states.

scholarly journals Non-adiabatic effects in the H 3 + spectrum

2019 ◽  
Vol 377 (2154) ◽  
pp. 20180411 ◽  
Author(s):  
Paulo H. R. Amaral ◽  
Monika Stanke ◽  
Ludwik Adamowicz ◽  
Leonardo G. Diniz ◽  
José R. Mohallem ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Quantum Electrodynamic ◽  
Energy Surface ◽  
Energy Levels ◽  
High Accuracy ◽  
Empirical Method ◽  
Molecular Ions ◽  
Stockholder Atoms ◽  
Existing Data

The effect of non-adiabatic coupling on the computed rovibrational energy levels amounts to about 2 cm −1 for H 3 + and must be included in high-accuracy calculations. Different strategies to obtain the corresponding energy shifts are reviewed in the article. A promising way is to introduce effective vibrational reduced masses that depend on the nuclear configuration. A new empirical method that uses the stockholder atoms-in-molecules approach to this effect is presented and applied to H 3 + . Furthermore, a highly accurate potential energy surface for the D 3 + isotopologue, which includes relativistic and leading quantum electrodynamic terms, is constructed and used to analyse the observed rovibrational frequencies for this molecule. Accurate band origins are obtained that improve existing data. This article is part of a discussion meeting issue ‘Advances in hydrogen molecular ions: H 3 + , H 5 + and beyond’.

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