Rayleigh-Schrödinger perturbation theory for many-electron systems with partitioning of configurations by orders of excitation. II. Analysis of the ground-state wavefunction and energy

1986 ◽  
Vol 30 (4) ◽  
pp. 573-573
Author(s):  
William J. Taylor
1981 ◽  
Vol 46 (11) ◽  
pp. 2595-2599
Author(s):  
Ivan Kozák ◽  
Vladimír Špirko ◽  
Petr Čársky

Many-body Rayleigh-Schrödinger perturbation theory (MB-RSPT) up to third order applied to OH- in the range of interatomic distances from 0.0815 to 0.1175 nm. The energy data obtained are combined with the experimental RKR (ground state) potential of HF, and, a ground state potential of OH- is constructed (over a wide range of internuclear distances) within the framework of the reduced potential curve method. With the use of this potential the corresponding rotation-vibration Schrödinger equation is solved for 16OH-. The computed spectroscopic constants are compared with best reported calculations and available experimental evidence. The comparison indicates that MB-RSPT may be used as an adequate (and convenient) tool for the study of negative ions.


1987 ◽  
Vol 35 (9) ◽  
pp. 3901-3910 ◽  
Author(s):  
V. C. Aguilera-Navarro ◽  
R. Guardiola ◽  
C. Keller ◽  
M. de Llano ◽  
M. Popovic ◽  
...  

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