Molecular calculations using spherical gaussian orbitals. Part 1.—Optimisation of the atomic parameters for the first-row atoms

Author(s):  
Robert M. Archibald ◽  
David R. Armstrong ◽  
Peter G. Perkins
2019 ◽  
Vol 118 (4) ◽  
pp. 1615646
Author(s):  
Stefano Battaglia ◽  
David Bouet ◽  
Alexis Lecoq ◽  
Stefano Evangelisti ◽  
Noelia Faginas-Lago ◽  
...  

Planta Medica ◽  
2008 ◽  
Vol 74 (09) ◽  
Author(s):  
V Myrianthopoulos ◽  
P Magiatis ◽  
AL Skaltsounis ◽  
L Meijer ◽  
E Mikros

1981 ◽  
Vol 36 (3) ◽  
pp. 272-275 ◽  
Author(s):  
Subal Chandra Saha ◽  
Sankar Sengupta

It is possible to reproduce the entire results of Pekeris et al. of different atomic parameters for the He atom by introducing (ll) type correlation in a self consistent variation perturbation procedure using the Hartree-Fock (HF) wavefunction as the zero-order wavefunction


2017 ◽  
Vol 95 (9) ◽  
pp. 805-810 ◽  
Author(s):  
M. Raineri ◽  
M. Gallardo ◽  
J. Reyna Almandos ◽  
C.J.B. Pagan ◽  
R. Sarmiento

A pulsed discharge light source to study the six and seven times ionized xenon spectra in the 419–4642 Å region was used. A set of 40 transitions of Xe VII and 25 transitions of Xe VIII were classified for the first time. We revised the values for the previously known energy levels and extended the analysis for Xe VII to 10 new energy levels belonging to 5s6d, 5s7s and 5s7p, 4d95s25p even and odd configurations, respectively. Seven new energy levels of the core excited configuration 4d95s5d of Xe VIII are presented. For the prediction of the atomic parameters, energy levels, and transition, relativistic Hartree–Fock calculations were used.


1981 ◽  
Vol 24 (8) ◽  
pp. 4745-4752 ◽  
Author(s):  
G. B. Bachelet ◽  
H. S. Greenside ◽  
G. A. Baraff ◽  
M. Schlüter

1996 ◽  
Vol 37 (1-3) ◽  
pp. 146-149 ◽  
Author(s):  
N. Moldovan ◽  
Mihaela Ilie

1967 ◽  
Vol 6 (12) ◽  
pp. 2273-2273 ◽  
Author(s):  
Allan Zalkin ◽  
David Templeton ◽  
Ted Hopkins
Keyword(s):  

2001 ◽  
Vol 115 (8) ◽  
pp. 3561-3565 ◽  
Author(s):  
Toshikatsu Koga ◽  
Hiroshi Tatewaki ◽  
Osamu Matsuoka

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