Variational methods produce one-electron radial functions that minimize the total energy of the system. Independent pair correlation functions (PCFs) designed to represent a specific correlation effect – valence, core-valence, or core-core – can be obtained from multiconfiguration Hartree-Fock (MCHF) or Dirac-Hartree-Fock (MCDHF) calculations [1,2]. These separately optimized and nonorthogonal PCFs may then be coupled by solving the associated generalized eigenproblem. In the present study, the Hamiltonian and overlap matrix elements are evaluated through biorthonormal orbital transformations and efficient counter-transformation of the configuration interaction eigenvectors [3]. The ground state of Be atom has been thoroughly tested ...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods a...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of the syst...
It is well known that variational methods produce one-electron radial functions that minimise the to...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Variational methods are used for targeting speci c correlation e ects by tailoring the con- gurati...
Variational methods are used for targeting specific correlation effects by tailoring the configura...
The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods ar...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods a...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of thesyste...
Variational methods produce one-electron radial functions that minimize the total energy of the syst...
It is well known that variational methods produce one-electron radial functions that minimise the to...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Multiconfiguration expansions frequently target valence correlation and correlation between valence ...
Variational methods are used for targeting speci c correlation e ects by tailoring the con- gurati...
Variational methods are used for targeting specific correlation effects by tailoring the configura...
The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods ar...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI)methods are...
The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods a...