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  • 1
    Electronic Resource
    Electronic Resource
    Direct solution of H 2 + Schrödinger equation using the hyperspherical coordinate (1995)
    Springer
    Theoretical chemistry accounts 92 (1995), S. 135-147 
    Details
    ISSN: 1432-2234
    Keywords: 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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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    A potential harmonic method for the three-body coulomb problem (1997)
    Springer
    Theoretical chemistry accounts 98 (1997), S. 110-116 
    Details
    ISSN: 1432-2234
    Keywords: Key words: Three-body problem ; Schroedinger equation ; Potential harmonics ; Hyperspherical coordinate ; Generalized Laguerre function
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract. A potential harmonic method that is suitable for the three-body coulomb systems is presented. This method is applied to solve the three-body Schroedinger equations for He and e + e − e + directly, and the calculations yield very good results for the energy. For example, we obtain a ground-state energy of −0.26181 hartrees for e + e − e +, and −2.90300 hartrees for He with finite nuclear mass, in good agreement with the exact values of −0.26200 hartrees and −2.90330 hartrees. Compared with the full-set calculations, the errors in the total energy for ground and excited states of e + e − e + are very small, around −0.0001 hartrees. We conclude that the present method is one of the best PH methods for the three-body coulomb problem.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002140050284
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Direct solution of H+2 Schrödinger equation using the hyperspherical coordinate (1995)
    Springer
    Theoretica chimica acta 92 (1995), S. 135-147 
    Details
    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
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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