Threesimulated expressions are suggested regarding the Z-dependence of groundstate energies of neutral atoms at the Hartree-Fock, exact nonrelativistic and relativistic levels. The Hartree-Fock-level Z-1/3-expansion contains three previously derivedplus two newly derived terms, the latter signifying exchange corrections from the 'inner core' and the 'core mantle' of the Lieb atom. This leads to better agreement than any previous expression, with every coefficient being physically transparent. The Z-dependence of the correlation energy is obtained from a semiempirical Wigner-type correlation potential while the relativistic correction is taken to be in between the values suggested separately by Scott and Schwinger. Agreement with reference v...
Relativistic basis sets for first-row atoms have been constructed by using the near-Hartree-Fock (no...
Non-relativistic variational energies for the 1s3d(1,3D) states of the helium isoelectronic sequence...
We describe atoms by a pseudo-relativistic model that has its origin in the work of Chandrasekhar. W...
Department of Chemistry. Indian Institute of Technology, Kharagpur-721 302 Manuscript received 25 Ja...
In the introductory section, we compare the total, kinetic, nuclear-electron, Coulomb, exchange, and...
The Method of Coherent Structures (MCS) has been used, as an example of a sufficiently complex atomi...
Exact density functionals for the exchange and correlation energies are approximated in practical ca...
Author Institution: IBM Research Laboratory“The Hartree-Fock functions have been obtained for the is...
Analytic approximations to nonrelativistic atomic ground state energies are obtained from the first ...
The method of coherent structures has been used to determine the one-electron energies of a neutral ...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
SIGLECopy held by FIZ Karlsruhe; available from UB/TIB Hannover / FIZ - Fachinformationszzentrum Kar...
Correlation energy differences have been evaluated using an empirical polarization potential for the...
We calculate the ground-state properties of well deformed, even-even N = Z nuclei in the region betw...
Relativistic basis sets for first-row atoms have been constructed by using the near-Hartree-Fock (no...
Non-relativistic variational energies for the 1s3d(1,3D) states of the helium isoelectronic sequence...
We describe atoms by a pseudo-relativistic model that has its origin in the work of Chandrasekhar. W...
Department of Chemistry. Indian Institute of Technology, Kharagpur-721 302 Manuscript received 25 Ja...
In the introductory section, we compare the total, kinetic, nuclear-electron, Coulomb, exchange, and...
The Method of Coherent Structures (MCS) has been used, as an example of a sufficiently complex atomi...
Exact density functionals for the exchange and correlation energies are approximated in practical ca...
Author Institution: IBM Research Laboratory“The Hartree-Fock functions have been obtained for the is...
Analytic approximations to nonrelativistic atomic ground state energies are obtained from the first ...
The method of coherent structures has been used to determine the one-electron energies of a neutral ...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second ro...
SIGLECopy held by FIZ Karlsruhe; available from UB/TIB Hannover / FIZ - Fachinformationszzentrum Kar...
Correlation energy differences have been evaluated using an empirical polarization potential for the...
We calculate the ground-state properties of well deformed, even-even N = Z nuclei in the region betw...
Relativistic basis sets for first-row atoms have been constructed by using the near-Hartree-Fock (no...
Non-relativistic variational energies for the 1s3d(1,3D) states of the helium isoelectronic sequence...
We describe atoms by a pseudo-relativistic model that has its origin in the work of Chandrasekhar. W...