Helium Atom Wave Functions from Slater Orbitals of Nonintegral Principal Quantum Number
Lawrence C. Snyder
Abstract
Lawrence C. Snyder
Abstract
Slater orbitals of nonintegral principal quantum number have been used to construct a He ground-state wave function of the form Ψ=c1(ns,n′s)+c2(n′′p)2+c3(n′′′d)2+c4(n′′′′f)2.The variation method has been employed to determine the five orbital exponents, the five principal quantum numbers n, and the four linear coefficients. The minimized energy is 0.0058 a.u. above the nonrelativistic limit of —2.9037 a.u. computed by Pekeris. This may be compared with a difference of 0.0063 a.u. obtained by Taylor and Parr upon minimizing the energy of the same wave function constrained to have integral principal quantum numbers.
OpenAlex reports 27 citations for this work. Citation counts describe recorded attention and do not establish research quality.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
Slater orbitals of nonintegral principal quantum number have been used to construct a He ground-state wave function of the form Ψ=c1(ns,n′s)+c2(n′′p)2+c3(n′′′d)2+c4(n′′′′f)2.The variation method has been employed to determine the five orbital exponents, the five principal quantum numbers n, and the four linear coefficients. The minimized energy is 0.0058 a.u. above the nonrelativistic limit of —2.9037 a.u. computed by Pekeris. This may be compared with a difference of 0.0063 a.u. obtained by Taylor and Parr upon minimizing the energy of the same wave function constrained to have integral principal quantum numbers.
Key concepts: Principal quantum number, Wave function, Quantum number, Atomic orbital, Physics, Quantum mechanics, Helium atom, Slater determinant