Simple correlated wavefunctions for the K-shell electrons of neutral atoms

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Simple correlated wavefunctions considering two K-shell active electrons of neutral atoms from He to Xe are presented in this paper, describing a variational method subject to a local Hartree potential representing the presence of outer shell electrons. Three kinds of electron-electron correlation f...

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Autor principal: Mitnik, D.M
Otros Autores: Miraglia, Jorge Esteban
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2005
Acceso en línea:Registro en Scopus
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100 1 |a Mitnik, D.M. 
245 1 0 |a Simple correlated wavefunctions for the K-shell electrons of neutral atoms 
260 |c 2005 
270 1 0 |m Mitnik, D.M.; Departamento de Física, FCEyN, Universidad de Buenos Aires, (C1428EGA) Buenos Aires, Argentina 
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504 |a Bolognesi, P., Flammini, R., Kheifets, A., Bray, I., Avaldi, L., (2004) Phys. Rev., 70 (6), p. 062715 
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506 |2 openaire  |e Política editorial 
520 3 |a Simple correlated wavefunctions considering two K-shell active electrons of neutral atoms from He to Xe are presented in this paper, describing a variational method subject to a local Hartree potential representing the presence of outer shell electrons. Three kinds of electron-electron correlation functions have been studied with rigorous observation of the exact behaviour of the wavefunctions at the electron-electron and electron-nucleus coalescence points (Kato cusp conditions). Global properties, such as the energies and virial coefficients, as well as local properties, such as spatial mean values, together with scaling laws with the nuclear charge for the variational parameters, are also analysed. We calculated the expansion of the functions in terms of bipolar spherical harmonics. Finally, comparisons are made with a more rigorous, fully quantal close-coupling method, which also includes the same Hartree potential for the outer electrons. © 2005 IOP Publishing Ltd.  |l eng 
593 |a Departamento de Física, FCEyN, Universidad de Buenos Aires, (C1428EGA) Buenos Aires, Argentina 
593 |a Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, CC 67, Suc. 28, (C1428EGA) Buenos Aires, Argentina 
690 1 0 |a ATOMS 
690 1 0 |a ELECTRONS 
690 1 0 |a FUNCTIONS 
690 1 0 |a MATHEMATICAL MODELS 
690 1 0 |a NUCLEAR ENERGY 
690 1 0 |a PARAMETER ESTIMATION 
690 1 0 |a SPATIAL VARIABLES MEASUREMENT 
690 1 0 |a VARIATIONAL TECHNIQUES 
690 1 0 |a K-SHELL ELECTRONS 
690 1 0 |a NEUTRAL ATOMS 
690 1 0 |a SPATIAL MEAN VALUES 
690 1 0 |a WAVEFUNCTIONS 
690 1 0 |a ELECTRON ENERGY LEVELS 
700 1 |a Miraglia, Jorge Esteban 
773 0 |d 2005  |g v. 38  |h pp. 3325-3338  |k n. 18  |p J Phys B At Mol Opt Phys  |x 09534075  |w (AR-BaUEN)CENRE-332  |t Journal of Physics B: Atomic, Molecular and Optical Physics 
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856 4 0 |u https://doi.org/10.1088/0953-4075/38/18/004  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_09534075_v38_n18_p3325_Mitnik  |y Handle 
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