Search of truncation of (N−1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock-space coupled cluster approach

2013 ◽  
Vol 34 (15) ◽  
pp. 1291-1310 ◽  
Author(s):  
Kalipada Adhikari ◽  
Sudip Chattopadhyay ◽  
Barin Kumar De ◽  
Amitava Sharma ◽  
Ranendu Kumar Nath ◽  
...  
Keyword(s):  
Fock Space ◽  
Ionization Potentials ◽  
Coupled Cluster ◽  
Cluster Approach

scholarly journals Erratum: Search of truncation of (N-1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via fock space coupled cluster approach

2013 ◽  
Vol 34 (24) ◽  
pp. 2133-2133
Author(s):  
Kalipada Adhikari ◽  
Sudip Chattopadhyay ◽  
Barin Kumar De ◽  
Amitava Sharma ◽  
Ranendu Kumar Nath ◽  
...  
Keyword(s):  
Fock Space ◽  
Ionization Potentials ◽  
Coupled Cluster ◽  
Cluster Approach

Mixed-sector intermediate Hamiltonian Fock-space coupled cluster approach

2004 ◽  
Vol 121 (14) ◽  
pp. 6634-6639 ◽  
Author(s):  
Arie Landau ◽  
Ephraim Eliav ◽  
Yasuyuki Ishikawa ◽  
Uzi Kaldor
Keyword(s):  
Fock Space ◽  
Coupled Cluster ◽  
Cluster Approach

Intermediate Hamiltonian Fock Space Multireference Coupled Cluster Approach to Core Excitation Spectra

2014 ◽  
Vol 10 (9) ◽  
pp. 3656-3668 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Jitendra Gupta ◽  
Nayana Vaval ◽  
Sourav Pal
Keyword(s):  
Fock Space ◽  
Coupled Cluster ◽  
Cluster Approach ◽  
Excitation Spectra ◽  
Core Excitation

Electronic Spectra and Ionization Potentials of Halogen Oxides Using the Fock Space Coupled-Cluster Method

2005 ◽  
Vol 70 (7) ◽  
pp. 851-863 ◽  
Author(s):  
Nayana Vaval ◽  
Prashant Manohar ◽  
Sourav Pal
Keyword(s):  
Excited States ◽  
Fock Space ◽  
Ionization Potentials ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Excitation Energies ◽  
Coupled Cluster Theory ◽  
Vertical Detachment Energy ◽  
Halogen Oxides

The ionization potentials and excitation energies of halogen monoxides and dihalogen oxides are studied using fully size-extensive Fock space version of multi-reference coupled-cluster theory. The low-lying excited states of ClO-, FO-, Cl2O and F2O are obtained along with the ionization spectra of Cl2O and F2O. The adiabatic electron affinity of ClO, FO and the vertical detachment energy of ClO- and FO- are also presented.

Electronic states of NaLi molecule: Benchmark results with Fock space coupled cluster approach

2021 ◽  
Vol 154 (5) ◽  
pp. 054109
Author(s):  
Monika Musiał ◽  
Stanisław A. Kucharski ◽  
Anna Bewicz ◽  
Patrycja Skupin ◽  
Magdalena Tomanek
Keyword(s):  
Fock Space ◽  
Electronic States ◽  
Coupled Cluster ◽  
Cluster Approach

Coupled-cluster method in Fock space. II. Brueckner-Hartree-Fock method

1985 ◽  
Vol 32 (2) ◽  
pp. 743-747 ◽  
Author(s):  
Leszek Z. Stolarczyk ◽  
Hendrik J. Monkhorst
Keyword(s):  
Fock Space ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Hartree Fock

Valence bond corrected single reference coupled cluster approach

1994 ◽  
Vol 89 (1) ◽  
pp. 33-57 ◽  
Author(s):  
J. Planelles ◽  
J. Paldus ◽  
X. Li
Keyword(s):  
Valence Bond ◽  
Coupled Cluster ◽  
Cluster Approach
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