Add to ORKGWe perform the self-consistent calculations on the atomic electron affinity and ionization energy for the first-row atoms by means of our scheme. A striking feature of the present work is the variational method with taking into account effects of the nonspherical distribution of electrons explicitly. Comparing the pre-sent results with those of the conventional spherical approximation, the systematical improvement can be found. This means that effects of the nonspherical distribution of electrons may play an essential role on the description of the atomic structures
Main aim of this work is calculation of contribution of the selfenergy of electron to atomic spectra...
Less familiar aspects of ionization energies of atoms and atomic ions from s, p, d, and f blocks of ...
The variational procedure of the Hartree-Fock and Kohn-Sham methods can be modified by adding one or...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
We present a scheme for calculating atomic single-particle wave functions and spectra with taking in...
Abstract: The electron binding energy analysis proposed before for atoms is applied to pos...
The investigation of scattering phenomena is a major theme of modern physics. A scattered particle p...
It is shown from statistical theory that the binding energy for positive ions may be expressed in a ...
It was recently proposed to use variational functionals based on many-body perturbation theory for t...
We perform GW calculations on atoms and diatomic molecules at different levels of self-consistency a...
The calculations of electronegativity, absolute hardness, and their variation with nuclear charge, Z...
Total energies and electron affinities of selected atoms are calculated in a local‐spin‐density sche...
A method of describing the nonlocality of the exchange and correlation energy and potential is used ...
The nonrelativistic ionization energy levels of a helium atom are calculated for S, P, and D states....
Main aim of this work is calculation of contribution of the selfenergy of electron to atomic spectra...
Less familiar aspects of ionization energies of atoms and atomic ions from s, p, d, and f blocks of ...
The variational procedure of the Hartree-Fock and Kohn-Sham methods can be modified by adding one or...
We perform the self-consistent calculations on the atomic electron affinity and ionization energy fo...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
We present a scheme for calculating atomic single-particle wave functions and spectra with taking in...
Abstract: The electron binding energy analysis proposed before for atoms is applied to pos...
The investigation of scattering phenomena is a major theme of modern physics. A scattered particle p...
It is shown from statistical theory that the binding energy for positive ions may be expressed in a ...
It was recently proposed to use variational functionals based on many-body perturbation theory for t...
We perform GW calculations on atoms and diatomic molecules at different levels of self-consistency a...
The calculations of electronegativity, absolute hardness, and their variation with nuclear charge, Z...
Total energies and electron affinities of selected atoms are calculated in a local‐spin‐density sche...
A method of describing the nonlocality of the exchange and correlation energy and potential is used ...
The nonrelativistic ionization energy levels of a helium atom are calculated for S, P, and D states....
Main aim of this work is calculation of contribution of the selfenergy of electron to atomic spectra...
Less familiar aspects of ionization energies of atoms and atomic ions from s, p, d, and f blocks of ...
The variational procedure of the Hartree-Fock and Kohn-Sham methods can be modified by adding one or...