Electronic structure of the GdF molecule by frozen-core four-component relativistic configuration interaction calculations

Hiroshi Tatewaki; Yoshihiro Watanabe; Shigeyoshi Yamamoto; Eisaku Miyoshi

doi:10.1063/1.2222351

Electronic structure of the GdF molecule by frozen-core four-component relativistic configuration interaction calculations

The Journal of Chemical Physics ◽

10.1063/1.2222351 ◽

2006 ◽

Vol 125 (4) ◽

pp. 044309 ◽

Cited By ~ 7

Author(s):

Hiroshi Tatewaki ◽

Yoshihiro Watanabe ◽

Shigeyoshi Yamamoto ◽

Eisaku Miyoshi

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Vibrational and electronic structure of the3d−1→4p(π,σ)−2normal Auger spectrum of HBr studied by fully relativistic configuration-interaction calculations

Physical Review A ◽

10.1103/physreva.61.032712 ◽

2000 ◽

Vol 61 (3) ◽

Cited By ~ 19

Author(s):

T. Matila ◽

K. Ellingsen ◽

T. Saue ◽

H. Aksela ◽

O. Gropen

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Auger Spectrum ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Fully relativistic configuration-interaction calculations on the vibrational and electronic structure of the2p−1→3p(π,σ)−2normal Auger-electron spectrum of HCl

Physical Review A ◽

10.1103/physreva.62.032502 ◽

2000 ◽

Vol 62 (3) ◽

Cited By ~ 15

Author(s):

K. Ellingsen ◽

T. Matila ◽

T. Saue ◽

H. Aksela ◽

O. Gropen

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Electron Spectrum ◽

Auger Electron ◽

Auger Electron Spectrum ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

The electronic structure of the PtH molecule: Fully relativistic configuration interaction calculations of the ground and excited states

The Journal of Chemical Physics ◽

10.1063/1.465813 ◽

1993 ◽

Vol 99 (9) ◽

pp. 6704-6715 ◽

Cited By ~ 83

Author(s):

L. Visscher ◽

T. Saue ◽

W. C. Nieuwpoort ◽

K. Faegri ◽

O. Gropen

Keyword(s):

Electronic Structure ◽

Excited States ◽

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Erratum: “Electronic structure of CeO studied by a four-component relativistic configuration interaction method” [J. Chem. Phys. 138, 224310 (2013)]

The Journal of Chemical Physics ◽

10.1063/1.4870265 ◽

2014 ◽

Vol 140 (12) ◽

pp. 129904 ◽

Cited By ~ 1

Author(s):

Hiroko Moriyama ◽

Hiroshi Tatewaki ◽

Shigeyoshi Yamamoto

Keyword(s):

Electronic Structure ◽

Configuration Interaction ◽

Chem Phys ◽

Interaction Method ◽

Configuration Interaction Method ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction

Download Full-text

Non-Relativistic Configuration Interaction Calculations for Many-Electron Atoms: ATOMCI

Modern Techniques in Computational Chemistry: MOTECC™-90 ◽

10.1007/978-94-009-2219-8_4 ◽

1990 ◽

pp. 181-234 ◽

Cited By ~ 4

Author(s):

F. Sasaki ◽

M. Sekiya ◽

T. Noro ◽

K. Ohtsuki ◽

Y. Osanai

Keyword(s):

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Relativistic and non-relativistic configuration interaction calculations for atoms having a closed core and two valence spin-orbitals

Computer Physics Communications ◽

10.1016/s0010-4655(84)82285-7 ◽

1984 ◽

Vol 35 ◽

pp. C-15-C-16

Author(s):

Donald R. Beck ◽

Richard N. Zare

Keyword(s):

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Quadratically convergent multiconfiguration Dirac-Fock and multireference relativistic configuration-interaction calculations for many-electron systems

Physical Review E ◽

10.1103/physreve.58.5096 ◽

1998 ◽

Vol 58 (4) ◽

pp. 5096-5110 ◽

Cited By ~ 29

Author(s):

Marius J. Vilkas ◽

Yasuyuki Ishikawa ◽

Konrad Koc

Keyword(s):

Configuration Interaction ◽

Electron Systems ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Relativistic configuration interaction calculations of multi-pole transitions rates and spectra of Ar I and Ar II

Advanced Studies in Theoretical Physics ◽

10.12988/astp.2016.6314 ◽

2016 ◽

Vol 10 ◽

pp. 235-266

Author(s):

Feras Afaneh ◽

Safeia Hamasha ◽

Khaldoon Al Khateeb

Keyword(s):

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Relativistic configuration interaction calculations of low‐lying states of PbF

The Journal of Chemical Physics ◽

10.1063/1.449323 ◽

1985 ◽

Vol 83 (5) ◽

pp. 2311-2315 ◽

Cited By ~ 31

Author(s):

K. Balasubramanian

Keyword(s):

Configuration Interaction ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text

Erratum: Relativistic configuration-interaction calculations of the energy levels of the 1s22l and 1s2l2l′ states in lithiumlike ions: Carbon through chlorine [Phys. Rev. A 96 , 042505 (2017)]

Physical Review A ◽

10.1103/physreva.96.069901 ◽

2017 ◽

Vol 96 (6) ◽

Cited By ~ 6

Author(s):

V. A. Yerokhin ◽

A. Surzhykov ◽

A. Müller

Keyword(s):

Configuration Interaction ◽

Energy Levels ◽

Relativistic Configuration ◽

Relativistic Configuration Interaction ◽

Configuration Interaction Calculations

Download Full-text