photodetachment spectrum Latest Research Papers

Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3−) based on an artificial neural network diabatic potential model

The Journal of Chemical Physics ◽

10.1063/5.0039503 ◽

2021 ◽

Vol 154 (8) ◽

pp. 084302

Author(s):

Alexandra Viel ◽

David M. G. Williams ◽

Wolfgang Eisfeld

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

Quantum Dynamics ◽

Potential Model ◽

Dynamics Simulation ◽

Nitrate Anion ◽

Artificial Neural ◽

Photodetachment Spectrum

On the higher-order T2 ⊗ (e + t2) Jahn–Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH4−)

Physical Chemistry Chemical Physics ◽

10.1039/c7cp08113h ◽

2018 ◽

Vol 20 (14) ◽

pp. 9401-9410 ◽

Cited By ~ 6

Author(s):

T. Mondal

Keyword(s):

Higher Order ◽

Second Order ◽

Coupling Effects ◽

Jahn Teller ◽

Coupling Terms ◽

Photodetachment Spectrum

The higher-order JT coupling terms (beyond the standard second-order JT theory) are important to understand the first photoelectron band of AlH4.

Simulation of the photodetachment spectrum of HHfO− using coupled-cluster calculations

The Journal of Chemical Physics ◽

10.1063/1.4972816 ◽

2016 ◽

Vol 145 (24) ◽

pp. 244303

Author(s):

Daniel K. W. Mok ◽

John M. Dyke ◽

Edmond P. F. Lee

Keyword(s):

Coupled Cluster ◽

Cluster Calculations ◽

Photodetachment Spectrum ◽

Coupled Cluster Calculations

Photodetachment Spectrum of Hydrogen Negative Ion Near a Partially Reflecting Spherical Surface

Brazilian Journal of Physics ◽

10.1007/s13538-016-0440-5 ◽

2016 ◽

Vol 46 (5) ◽

pp. 489-495

Author(s):

A. Afaq ◽

Azmat Iqbal ◽

Amin Ur Rahman ◽

Naveed Khan ◽

Fazal-e- Aleem ◽

...

Keyword(s):

Spherical Surface ◽

Negative Ion ◽

Photodetachment Spectrum

A general analytical expression for the three-dimensional Franck–Condon integral and simulation of the photodetachment spectrum of the anion

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2013.02.009 ◽

2013 ◽

Vol 286-287 ◽

pp. 12-20 ◽

Cited By ~ 4

Author(s):

Jun Liang ◽

Fang Cui ◽

Ru Wang ◽

Wei Huang ◽

Zhifeng Cui

Keyword(s):

Three Dimensional ◽

General Analytical Expression ◽

Analytical Expression ◽

Franck Condon ◽

Photodetachment Spectrum

A combined ab initio and Franck–Condon simulation study of the photodetachment spectrum of the anion

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.08.009 ◽

2011 ◽

Vol 976 (1-3) ◽

pp. 98-104 ◽

Cited By ~ 1

Author(s):

Chao Pan ◽

Xiuyuan Liang ◽

Ruijun Wang ◽

Songtao Tao ◽

Jun Liang ◽

...

Keyword(s):

Ab Initio ◽

Simulation Study ◽

Franck Condon ◽

Photodetachment Spectrum

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H−: Restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H−

The Journal of Chemical Physics ◽

10.1063/1.3640037 ◽

2011 ◽

Vol 135 (12) ◽

pp. 124312 ◽

Cited By ~ 2

Author(s):

Daniel K. W. Mok ◽

Edmond P. F. Lee ◽

Foo-tim Chau ◽

John M. Dyke

Keyword(s):

Potential Energy ◽

Coupled Cluster ◽

Energy Functions ◽

Potential Energy Functions ◽

Franck Condon ◽

Photodetachment Spectrum

Erratum: “Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF 6−” [J. Chem. Phys. 134, 054303 (2011)]

The Journal of Chemical Physics ◽

10.1063/1.3575400 ◽

2011 ◽

Vol 134 (12) ◽

pp. 129903 ◽

Cited By ~ 7

Author(s):

Wolfgang Eisfeld

Keyword(s):

Electron Affinity ◽

Accurate Determination ◽

Chem Phys ◽

Photodetachment Spectrum

Franck-Condon simulation of the photoelectron spectrum of AsCl2and the photodetachment spectrum of AsCl 2− employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2

Journal of Computational Chemistry ◽

10.1002/jcc.21743 ◽

2011 ◽

Vol 32 (8) ◽

pp. 1648-1660 ◽

Cited By ~ 3

Author(s):

Daniel K. W. Mok ◽

Edmond P. F. Lee ◽

Foo-Tim Chau ◽

John M. Dyke

Keyword(s):

Potential Energy ◽

Photoelectron Spectrum ◽

Energy Functions ◽

Potential Energy Functions ◽

Franck Condon ◽

Photodetachment Spectrum

Highly accurate determination of the electron affinity of SF 6 and analysis of structure and photodetachment spectrum of SF 6−

The Journal of Chemical Physics ◽

10.1063/1.3544213 ◽

2011 ◽

Vol 134 (5) ◽

pp. 054303 ◽

Cited By ~ 25

Author(s):

Wolfgang Eisfeld

Keyword(s):

Electron Affinity ◽

Accurate Determination ◽

Photodetachment Spectrum

photodetachment spectrum
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3−) based on an artificial neural network diabatic potential model

On the higher-order T2 ⊗ (e + t2) Jahn–Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH4−)

Simulation of the photodetachment spectrum of HHfO− using coupled-cluster calculations

Photodetachment Spectrum of Hydrogen Negative Ion Near a Partially Reflecting Spherical Surface

A general analytical expression for the three-dimensional Franck–Condon integral and simulation of the photodetachment spectrum of the anion

A combined ab initio and Franck–Condon simulation study of the photodetachment spectrum of the anion

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H−: Restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H−

Erratum: “Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF 6−” [J. Chem. Phys. 134, 054303 (2011)]

Franck-Condon simulation of the photoelectron spectrum of AsCl2and the photodetachment spectrum of AsCl 2− employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2

Highly accurate determination of the electron affinity of SF 6 and analysis of structure and photodetachment spectrum of SF 6−

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photodetachment spectrumRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Accurate quantum dynamics simulation of the photodetachment spectrum of the nitrate anion (NO3−) based on an artificial neural network diabatic potential model

On the higher-order T2 ⊗ (e + t2) Jahn–Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH4−)

Simulation of the photodetachment spectrum of HHfO− using coupled-cluster calculations

Photodetachment Spectrum of Hydrogen Negative Ion Near a Partially Reflecting Spherical Surface

A general analytical expression for the three-dimensional Franck–Condon integral and simulation of the photodetachment spectrum of the anion

A combined ab initio and Franck–Condon simulation study of the photodetachment spectrum of the anion

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H−: Restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple -F12x potential energy functions of P2H and P2H−

Erratum: “Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF 6−” [J. Chem. Phys. 134, 054303 (2011)]

Franck-Condon simulation of the photoelectron spectrum of AsCl2and the photodetachment spectrum of AsCl 2− employing UCCSD(T)-F12a potential energy functions: IE and EA of AsCl2

Highly accurate determination of the electron affinity of SF 6 and analysis of structure and photodetachment spectrum of SF 6−

photodetachment spectrum
Recently Published Documents