The Hartree-Fock (HF) intracule density distribution data and the fully-correlated (FC) intracule density distribution data for Li+, He, H- and the critical nuclear charge system for two-electron binding. A 1000 data points are provided for each distribution. The HF and FC data can be subtracted to obtain the Coulomb hole data. Also provided is Coulomb hole data obtained by fitting a spline function
The computational complexity of ab initio electronic structure methods can be de-creased through the...
This thesis is comprised of two distinct areas: the first area representing the bulk of the work to ...
A natural range separation of the Coulomb hole into two components, one of them being predominant at...
The Hartree-Fock (HF) intracule density distribution data and the fully-correlated (FC) intracule de...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
The contributions of the correlated and uncorrelated components of the electron-pair density to atom...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
A topological analysis of intracule and extracule densities and their Laplacians computed within the...
The contributions of the correlated and uncorrelated components of the electron-pair density to atom...
The wave functions and two-electron probability distributions of the Hooke's-law atom (hookium) and ...
A method is presented for determining inner and outer one-electron radial density functions for two...
A topological analysis of intracule and extracule densities and their Laplacians computed within the...
The accuracy of Hartree-Fock (HF) calculations of the average density {Mathematical expression} in t...
The computational complexity of ab initio electronic structure methods can be de-creased through the...
This thesis is comprised of two distinct areas: the first area representing the bulk of the work to ...
A natural range separation of the Coulomb hole into two components, one of them being predominant at...
The Hartree-Fock (HF) intracule density distribution data and the fully-correlated (FC) intracule de...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
The contributions of the correlated and uncorrelated components of the electron-pair density to atom...
This paper presents high accuracy correlation energies, intracule densities and Coulomb hole(s) for ...
A topological analysis of intracule and extracule densities and their Laplacians computed within the...
The contributions of the correlated and uncorrelated components of the electron-pair density to atom...
The wave functions and two-electron probability distributions of the Hooke's-law atom (hookium) and ...
A method is presented for determining inner and outer one-electron radial density functions for two...
A topological analysis of intracule and extracule densities and their Laplacians computed within the...
The accuracy of Hartree-Fock (HF) calculations of the average density {Mathematical expression} in t...
The computational complexity of ab initio electronic structure methods can be de-creased through the...
This thesis is comprised of two distinct areas: the first area representing the bulk of the work to ...
A natural range separation of the Coulomb hole into two components, one of them being predominant at...