Relativistic coupled-cluster calculation of core ionization potentials using the normal and the semi-normal ordered ansatz

Chiranjib Sur; Rajat K Chaudhuri

doi:10.1088/0953-4075/37/20/007

Relativistic coupled-cluster calculation of core ionization potentials using the normal and the semi-normal ordered ansatz

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/37/20/007 ◽

2004 ◽

Vol 37 (20) ◽

pp. 4127-4134 ◽

Cited By ~ 8

Author(s):

Chiranjib Sur ◽

Rajat K Chaudhuri

Keyword(s):

Ionization Potentials ◽

Coupled Cluster ◽

Cluster Calculation

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Fock-space relativistic coupled-cluster calculation of a hyperfine-induced 1S0→3P0o clock transition in Al+

Physical Review A ◽

10.1103/physreva.103.022801 ◽

2021 ◽

Vol 103 (2) ◽

Author(s):

Ravi Kumar ◽

S. Chattopadhyay ◽

D. Angom ◽

B. K. Mani

Keyword(s):

Fock Space ◽

Coupled Cluster ◽

Cluster Calculation ◽

Clock Transition

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Relativistic coupled-cluster calculation of the electric dipole polarizability and correlation energy of Cn, Nh+ , and Og: Correlation effects from lighter to superheavy elements

Physical Review A ◽

10.1103/physreva.103.062803 ◽

2021 ◽

Vol 103 (6) ◽

Author(s):

Ravi Kumar ◽

S. Chattopadhyay ◽

D. Angom ◽

B. K. Mani

Keyword(s):

Electric Dipole ◽

Correlation Energy ◽

Superheavy Elements ◽

Coupled Cluster ◽

Dipole Polarizability ◽

Cluster Calculation ◽

Correlation Effects

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Accurate Ionization Potentials, Electron Affinities and Electronegativities of Single-Walled Carbon Nanotubes by State-of-the-Art Local Coupled-Cluster Theory

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20180254 ◽

2019 ◽

Vol 92 (1) ◽

pp. 170-174 ◽

Cited By ~ 2

Author(s):

Masaaki Saitow ◽

Achintya K. Dutta ◽

Frank Neese

Keyword(s):

Carbon Nanotubes ◽

State Of The Art ◽

Single Walled Carbon Nanotubes ◽

Ionization Potentials ◽

Coupled Cluster ◽

Electron Affinities ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Partial fourth order schemes of triples in Fock-space coupled-cluster theory: Ionization potentials of ozone

Journal of the Indian Chemical Society ◽

10.1016/j.jics.2021.100166 ◽

2021 ◽

Vol 98 (11) ◽

pp. 100166

Author(s):

Suhita Basumallick ◽

Sourav Pal

Keyword(s):

Fourth Order ◽

Fock Space ◽

Ionization Potentials ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory

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Relativistic multireference Fock-space coupled-cluster calculation of the forbidden6s2S01→6s5dD13magnetic-dipole transition in ytterbium

Physical Review A ◽

10.1103/physreva.76.012509 ◽

2007 ◽

Vol 76 (1) ◽

Cited By ~ 6

Author(s):

Chiranjib Sur ◽

Rajat K. Chaudhuri

Keyword(s):

Fock Space ◽

Dipole Transition ◽

Coupled Cluster ◽

Cluster Calculation

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Direct calculation of vertical ionization potentials by the coupled-cluster method

Chemical Physics Letters ◽

10.1016/0009-2614(90)85298-q ◽

1990 ◽

Vol 173 (1) ◽

pp. 33-36 ◽

Cited By ~ 1

Author(s):

Stanislav Biskupička ◽

V. Kvasnička ◽

R. Klein

Keyword(s):

Direct Calculation ◽

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Vertical Ionization Potentials

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A simple scheme for the direct calculation of ionization potentials with coupled-cluster theory that exploits established excitation energy methods

The Journal of Chemical Physics ◽

10.1063/1.479673 ◽

1999 ◽

Vol 111 (19) ◽

pp. 8785-8788 ◽

Cited By ~ 114

Author(s):

John F. Stanton ◽

Jürgen Gauss

Keyword(s):

Excitation Energy ◽

Direct Calculation ◽

Ionization Potentials ◽

Coupled Cluster ◽

Energy Methods ◽

Simple Scheme ◽

Coupled Cluster Theory ◽

Cluster Theory

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A relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/48/11/115009 ◽

2015 ◽

Vol 48 (11) ◽

pp. 115009 ◽

Cited By ~ 4

Author(s):

Himadri Pathak ◽

B K Sahoo ◽

Turbasu Sengupta ◽

B P Das ◽

Nayana Vaval ◽

...

Keyword(s):

Relativistic Equation ◽

Equation Of Motion ◽

Double Ionization ◽

Ionization Potentials ◽

Coupled Cluster ◽

Relativistic Equation Of Motion

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An open-shell spin-restricted coupled cluster method: application to ionization potentials in nitrogen

The Journal of Physical Chemistry ◽

10.1021/j100322a004 ◽

1988 ◽

Vol 92 (11) ◽

pp. 3033-3036 ◽

Cited By ~ 361

Author(s):

Magnus Rittby ◽

Rodney J. Bartlett

Keyword(s):

Open Shell ◽

Ionization Potentials ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities

Theoretical Chemistry Accounts ◽

10.1007/s002140100273 ◽

2001 ◽

Vol 106 (4) ◽

pp. 251-258 ◽

Cited By ~ 14

Author(s):

Michał Jaszuński ◽

Antonio Rizzo ◽

Poul Jørgensen

Keyword(s):

Coupled Cluster ◽

Cluster Calculation ◽

Interaction Energies

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