$^{1}$ B. Musulin, C. W. Mitchell, and D. K. Harriss, Theoretica chimica acta, In press.Author Institution: Department of Chemistry, Southern Illinois UniversityMusulin, Mitchell, and $Harriss^{1}$ have shown that wave functions constructed with a variable orbital exponent are as good, with respect to energy predictions, as trial wave functions of equal or greater complexity. The Variation Principle allows one to improve trial wave functions by the inclusion of added parameters. The purpose of the present investigation is to determine if the addition of a single parameter, e.g. Weinbaum-type ionic terms, is as effective for wave functions with a variable orbital exponent as it has been for other trial functions. Results are reported for a t...
We extend our prior work on the construction of variational wave functions ψ that are functionals of...
Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ...
We perform a direct variational determination of the secondorder (two-particle) density matrix corre...
Two relatively simple non-variational wave functions for two electron diatomic molecules are propose...
A recently proposed variation principle [N. I. Gidopoulos, Phys. Rev. A 83, 040502(R) (2011)] for th...
A recently developed method for electronic wave functions has been applied to Li, Be+, and B++. This...
Author Institution: Chemical Technology Division, Oak Ridge National Laboratory; Department of Chemi...
Author Institution: Department of Chemistry, University of California“An IBM Type 701 data processin...
Author Institution: Department of Chemistry, Carnegle Institute of TechnologyThe wave function for a...
We compare the Hartree-Fock wave-functions for crystalline LiH obtained either with a standard Cryst...
The Schrodinger partial differential equation is reduced to an equivalent problem in the calculus of...
In this work, two-electron systems such as−H ion, He atom and+Li ion are investigated by using varia...
ABSTRACT: Using variational Monte Carlo, we compare the features of 118 trial wave function forms fo...
Author Institution: Department of Chemistry, Northwestern UniversitySimpson first showed that a fini...
The semi-exponential basis set of radial functions [A.M. Frolov, Phys. Lett. A 374, 2361 (2010)] is ...
We extend our prior work on the construction of variational wave functions ψ that are functionals of...
Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ...
We perform a direct variational determination of the secondorder (two-particle) density matrix corre...
Two relatively simple non-variational wave functions for two electron diatomic molecules are propose...
A recently proposed variation principle [N. I. Gidopoulos, Phys. Rev. A 83, 040502(R) (2011)] for th...
A recently developed method for electronic wave functions has been applied to Li, Be+, and B++. This...
Author Institution: Chemical Technology Division, Oak Ridge National Laboratory; Department of Chemi...
Author Institution: Department of Chemistry, University of California“An IBM Type 701 data processin...
Author Institution: Department of Chemistry, Carnegle Institute of TechnologyThe wave function for a...
We compare the Hartree-Fock wave-functions for crystalline LiH obtained either with a standard Cryst...
The Schrodinger partial differential equation is reduced to an equivalent problem in the calculus of...
In this work, two-electron systems such as−H ion, He atom and+Li ion are investigated by using varia...
ABSTRACT: Using variational Monte Carlo, we compare the features of 118 trial wave function forms fo...
Author Institution: Department of Chemistry, Northwestern UniversitySimpson first showed that a fini...
The semi-exponential basis set of radial functions [A.M. Frolov, Phys. Lett. A 374, 2361 (2010)] is ...
We extend our prior work on the construction of variational wave functions ψ that are functionals of...
Simple analytical wave functions satisfying appropriate boundary conditions are constructed for the ...
We perform a direct variational determination of the secondorder (two-particle) density matrix corre...