Hylleraas correlation in two-electron spectra

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Title: Hylleraas correlation in two-electron spectra
Author: Minor, James Marshall
Abstract: Electron correlation is a method of obtaining a more accurate solution of the two -electron Schrodinger equation . In the Hylleraas type correlation method , the relative electronic coordinates are introduced into the wave function , and the variation principle is used to determine some adjustable parameters . Lennard -Jones and Pople and Brickstock and Pople have developed electron correlation in twoelectron systems in a more general way for both the ground states and excited states . The Hylleraas correlation is actually a special case of the general development . In this work , a Hylleraas -type correlation function is used to modify multiplet wave functions constructed from 2 hydrogenic orbitals of the (n , n - 1 ) configuration outside of closed shells . The effect upon the multiplet energy spacings of a two parameter correlation function is important to determine the feasibility of similar calculations involving a more sophisticated but more accurate basis set of functions , such as the Hartree -Fock orbitals .
URI: http : / /hdl .handle .net /2346 /22136
Date: 1967-05

Citation

Hylleraas correlation in two-electron spectra. Master's thesis, Texas Tech University. Available electronically from http : / /hdl .handle .net /2346 /22136 .

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