ISSN:
0040-5744
Keywords:
Key words: Three-body problem
;
Hyperspherical coordinate
;
Schrödinger equation
;
H+2
;
Generalized-Laguerre function
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary. By introducing a Gaussian factor to describe the fact that the nuclei in H+ 2 vibrate around a fixed point, we have modified the method of hyperspherical harmonics recently proposed by us. The modified method has been applied to solve the three-body Schrödinger equation for H+ 2 directly without recourse to the Born–Oppenheimer approximation and the calculations yield well-converged ground-state energies. These are the first-reported results obtained for H+ 2 by the method of hyperspherical harmonics. With 25 hyperspherical harmonics and 40 generalized-Laguerre functions, we obtain a ground-state energy of −0.5945 au, which is close to the exact value of −0.5971 au. A detailed presentation of the method of modified hyperspherical harmonics is presented.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01114921
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