Theoretical study on the Rydberg states of NeH: Ab initio quantum defect and complex coordinate calculations

Ioannis D. Petsalakis; Giannoula Theodorakopoulos; Yan Li; Gerhard Hirsch; Robert J. Buenker; Mark S. Child

doi:10.1063/1.476195

Theoretical study on the Rydberg states of NeH: Ab initio quantum defect and complex coordinate calculations

The Journal of Chemical Physics ◽

10.1063/1.476195 ◽

1998 ◽

Vol 108 (18) ◽

pp. 7607-7615 ◽

Cited By ~ 17

Author(s):

Ioannis D. Petsalakis ◽

Giannoula Theodorakopoulos ◽

Yan Li ◽

Gerhard Hirsch ◽

Robert J. Buenker ◽

...

Keyword(s):

Ab Initio ◽

Theoretical Study ◽

Rydberg States ◽

Quantum Defect

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Ab initio and quantum-defect calculations for the Rydberg states of ArH

Physical Chemistry Chemical Physics ◽

10.1039/b511864f ◽

2006 ◽

Vol 8 (2) ◽

pp. 247-255 ◽

Cited By ~ 7

Author(s):

Adam Kirrander ◽

Mark S. Child ◽

Andrey V. Stolyarov

Keyword(s):

Ab Initio ◽

Rydberg States ◽

Quantum Defect

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Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH

The Journal of Chemical Physics ◽

10.1063/1.1582837 ◽

2003 ◽

Vol 119 (4) ◽

pp. 2004-2013 ◽

Cited By ~ 10

Author(s):

Ioannis D. Petsalakis ◽

Giannoula Theodorakopoulos ◽

Robert J. Buenker

Keyword(s):

Ab Initio ◽

Rydberg States ◽

Electronic States ◽

Quantum Defect ◽

Ab Initio Study

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Theoretical study of the dissociation reaction HFCO→HF+CO: New ab initio potential function and classical trajectory analysis

The Journal of Chemical Physics ◽

10.1063/1.474279 ◽

1997 ◽

Vol 107 (16) ◽

pp. 6114-6122 ◽

Cited By ~ 34

Author(s):

Takeshi Yamamoto ◽

Shigeki Kato

Keyword(s):

Ab Initio ◽

Potential Function ◽

Trajectory Analysis ◽

Theoretical Study ◽

Classical Trajectory ◽

Dissociation Reaction

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Theoretical Study of Ceramic Interfaces Using Ab Initio Pseudopotential Method.

Materia Japan ◽

10.2320/materia.37.569 ◽

1998 ◽

Vol 37 (7) ◽

pp. 569-572

Author(s):

Masanori Kohyama

Keyword(s):

Ab Initio ◽

Theoretical Study ◽

Pseudopotential Method ◽

Ceramic Interfaces

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Structural evolution and atomic diffusion behavior in the Ce70Al10Cu20 melt under compression: A theoretical study using ab-initio molecular dynamics simulations

Journal of Applied Physics ◽

10.1063/1.4993647 ◽

2017 ◽

Vol 122 (13) ◽

pp. 135106 ◽

Cited By ~ 1

Author(s):

Dongdong Li ◽

Heng Chen ◽

Xiaorui Sun ◽

Bingyan Qu ◽

Rulong Zhou ◽

...

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Theoretical Study ◽

Structural Evolution ◽

Ab Initio Molecular Dynamics ◽

Atomic Diffusion ◽

Diffusion Behavior ◽

Dynamics Simulations

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DFT and ab initio theoretical study for the CF3S+CO reaction

Journal of Fluorine Chemistry ◽

10.1016/j.jfluchem.2010.10.005 ◽

2011 ◽

Vol 132 (1) ◽

pp. 15-18 ◽

Cited By ~ 3

Author(s):

Yaru Pan ◽

Yizhen Tang ◽

Rongshun Wang

Keyword(s):

Ab Initio ◽

Theoretical Study

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ChemInform Abstract: Tautomerism of 2- and 4-Thiouracil. Ab initio Theoretical Study.

ChemInform ◽

10.1002/chin.199022053 ◽

1990 ◽

Vol 21 (22) ◽

Author(s):

A. LES ◽

L. ADAMOWICZ

Keyword(s):

Ab Initio ◽

Theoretical Study

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Synthesis, spectroscopy, electrochemistry and thermal study of vanadyl tridentate Schiff base complexes: theoretical study of the structures of compounds by ab initio calculations

Journal of the Iranian Chemical Society ◽

10.1007/s13738-012-0165-5 ◽

2012 ◽

Vol 10 (2) ◽

pp. 347-355 ◽

Cited By ~ 5

Author(s):

Ali Hossein Kianfar ◽

Sanam Asl Khademi ◽

Roghaye Hashemi Fath ◽

Mahmoud Roushani ◽

Mojtaba Shamsipur

Keyword(s):

Schiff Base ◽

Ab Initio Calculations ◽

Ab Initio ◽

Theoretical Study ◽

Thermal Study ◽

Schiff Base Complexes ◽

Tridentate Schiff Base

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Laser and microwave spectroscopy of even-parity Rydberg states of neutral ytterbium and multichannel-quantum-defect-theory analysis

Physical Review A ◽

10.1103/physreva.98.062506 ◽

2018 ◽

Vol 98 (6) ◽

Cited By ~ 8

Author(s):

H. Lehec ◽

A. Zuliani ◽

W. Maineult ◽

E. Luc-Koenig ◽

P. Pillet ◽

...

Keyword(s):

Rydberg States ◽

Microwave Spectroscopy ◽

Quantum Defect ◽

Theory Analysis ◽

Quantum Defect Theory

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A Theoretical Study on Interactions between Silica Gel and Adsorbed Molecules by using ab initio MO Method

The Kluwer International Series in Engineering and Computer Science - Fundamentals of Adsorption ◽

10.1007/978-1-4613-1375-5_112 ◽

1996 ◽

pp. 897-904 ◽

Cited By ~ 2

Author(s):

T. Suzuki ◽

H. Tamon ◽

M. Okazaki

Keyword(s):

Ab Initio ◽

Silica Gel ◽

Theoretical Study ◽

Adsorbed Molecules ◽

Ab Initio Mo

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