Variational calculations of high-J rovibrational states of the ozone molecule from empirically determined isotopically invariant potential energy surface

2004 ◽  
Author(s):  
Vladimir G. Tyuterev ◽  
Sergey A. Tashkun ◽  
David W. Schwenke ◽  
Alain Barbe
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Ozone Molecule ◽  
Variational Calculations ◽  
Invariant Potential ◽  
Rovibrational States

An accurate full-dimensional permutationally invariant potential energy surface for the interaction between H2O and CO

2019 ◽  
Vol 21 (43) ◽  
pp. 24101-24111 ◽  
Author(s):  
Yang Liu ◽  
Jun Li
Keyword(s):  
Neural Network ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Invariant Polynomial ◽  
Polynomial Neural Network ◽  
Invariant Potential

The first full-dimensional accurate potential energy surface was developed for the CO + H2O system based on ca. 102 000 points calculated at the CCSD(T)-F12a/AVTZ level using a permutation invariant polynomial-neural network (PIP-NN) method.

Ab initio potential-energy surface for the He(1S)+NO(X 2Π) interaction and bound rovibrational states

2000 ◽  
Vol 112 (5) ◽  
pp. 2195-2203 ◽  
Author(s):  
Jacek Kl/os ◽  
Grzegorz Chal/asiński ◽  
Mary T. Berry ◽  
Robert Bukowski ◽  
Sl/awomir M. Cybulski
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Rovibrational States

Development of a potential energy surface for the O3–Ar system: rovibrational states of the complex

2019 ◽  
Vol 21 (18) ◽  
pp. 9168-9180 ◽  
Author(s):  
Sangeeta Sur ◽  
Ernesto Quintas-Sánchez ◽  
Steve A. Ndengué ◽  
Richard Dawes
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Rovibrational States ◽  
Atmospheric Formation

Collisional stabilization is an important step in the process of atmospheric formation of ozone.

Six-dimensional quantum dynamics for dissociative chemisorption of H2 and D2 on Ag(111) on a permutation invariant potential energy surface

2014 ◽  
Vol 16 (45) ◽  
pp. 24704-24715 ◽  
Author(s):  
Bin Jiang ◽  
Hua Guo
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Satisfactory Agreement ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Dissociative Chemisorption ◽  
Invariant Potential

Quantum dynamics on a permutation invariant potential energy surface for H2 dissociation on Ag(111) yield satisfactory agreement with experiment.

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