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Master's Dissertation
DOI
10.11606/D.46.1976.tde-28072010-084916
Document
Author
Full name
Fernando Rei Ornellas
E-mail
Institute/School/College
Knowledge Area
Date of Defense
Published
São Paulo, 1976
Supervisor
Title in Portuguese
Sobre o perfil de Compton do átomo de hélio
Keywords in Portuguese
Átomo de hélio
Espaço de momento
Perfil de Compton
Abstract in Portuguese
Em vista de recentes determinações experimentais do perfil de Compton (Eisenberger, Phys. Rev., A2, 1678(1970); Wellenstein e Bonham, Phys. Rev., A7, 1568(1973}, procuramos efetuar um estudo comparativo de cálculos teóricos do perfil de Compton para o átomo de hélio (1S). Para tal, o conjunto de funções de onda elaboradas por Shull e L6wdin (J.Chem.Phy., 23, 1362(1955); 23, 1565(1955}; 30, 617(1959} mostrou-se bastante adequado, visto que permitiu observar a influência da função de onda no cálculo de perfil de Compton. Nossos resultados mostram em contraste à idéia geralmente aceita, que mesmo funções de onda igualmente boas para o cálculo da energia podem fornecer perfis de Compton com um erro maior que o experimental. Alem disso, apresentamos um conjunto de novos dados para o perfil de Compton e para a distribuição radial de momentum. Procuramos, também explicar essas discrepâncias relacionando-as com a transformada de Fourier da função de onda no espaço de configuração.
Title in English
On the Compton profile of the helium atom
Keywords in English
Compton profile
Helium atom
Momentum space
Abstract in English
In view of the recent experimental determination of the Compton profile (Eisenberger, Phys., Rev., A2,1678(1970); Wellenstein and Bonham, Phys, Rev., A7, 1568(1973), we have performed a comparative study of theoretical calcu1ation of the Compton profile for the helium atom (1S). For such, the set of wave functions elaborated by Shull and Löwdin (J.Chem. Phys., 23, 1362(1955); 23, 1565(1955); 30, 617(1959) show itself specially suftable since it was possible to observe the influence af the wave functions on the calculated profile. Our results show in, contrast to general accepted idea, that even equally good wave functions in the energy sense may give theoretical profiles in error greater than the experimental one. Besides, we have presented a set of new data for the Compton profile and radial momentum distribution. A1so we have tried to explain the source of these discrepancies relating them to the Fourier transformation of the wave function in the configuration space.
 
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Publishing Date
2010-07-28
 
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