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Master's Dissertation
DOI
https://doi.org/10.11606/D.54.1993.tde-05112008-122309
Document
Author
Full name
Mauro Masili
Institute/School/College
Knowledge Area
Date of Defense
Published
São Carlos, 1993
Supervisor
Committee
Hornos, Jose Eduardo Martinho (President)
Nogueira, José Carlos
Trsic, Milan
Title in Portuguese
Acoplamentos não-adiabáticos pelo método hiperesférico.
Keywords in Portuguese
Acoplamentos não-adiabáticos
Átomo de hélio
Método hiperesférico
Níveis de energia
Abstract in Portuguese
Soluções não-adiabáticas em coordenadas hiperesférica para sistemas coulombianos de três corpos são apresentadas. Energias altamente precisas para o estado fundamental do hélio são obtidas, pela primeira vez, no método adiabática hiperesferico (HAA). Com a inclusão de somente três curvas de potencial e os correspondentes acoplamentos, precisão de partes por milhão foram obtidas. Concluímos que o HAA, usado exaustivamente para descrever semi-quantitativamente sistemas atômicos e moleculares, não está mais obstruído pela falata de prescrição para se obter funções de onda de precisão arbritária para sitemas coulombianos.
Title in English
Nonadiabatic couplings in the hyperspherical method.
Keywords in English
Energy levels
Helium atom
Hyperspherical method
Nonadiabatic couplings
Abstract in English
Non-adiabatic solutions for the Coulombic three-body systems in hyperspherical coordinates are presented. Highly accurated energies for the helium ground state are obtained, by the first time, in the hyperspherical adiabatic approach (HAA). With the inclusion of only three potential curves and the corresponding couplings, precision of parts per million have been achieved. We conclude that the HAA, exhaustively used to describe semi-quantitatively both molecular and atomic systems, is no longer more hampered by the lack of prescription for the obtainment of arbitrary precision wave functions for Coulombic systems.
 
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MauroMasiliM.pdf (1.74 Mbytes)
Publishing Date
2008-11-06
 
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