Matrix Hartree-Fock wave functions are calculated for the low-lying configurations of the BeS molecule The energy of each state is computed variationally and estimates made of differences in correlation energy between the various levels The results indicate a 1Σ+ ground state.SCOPUS: ar.jinfo:eu-repo/semantics/publishe
Abstract Accurate variational nonrelativistic quantum-mechanical calculations are performed for the ...
The recently presented general algorithm for calculating an atomic fine structure [Kȩdziorski et al....
Benchmark calculations of the total and transition energies of the four lowest S-1 states of the ber...
Author Institution: Laboratory of Chemical Physics, California Institute of TechnologyMulticonfigura...
Accurate potential energy curves, dipole moment functions, dissociation energies, and molecular cons...
This work concerns ab initio calculations of the complete potential energy curve and spectroscopic c...
Results of calculations using a configuration interaction LCAO-MO method are presented for the X 2Σ+...
International audienceMulticonfiguration self-consistent field and multiconfiguration reference inte...
A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/...
Using large component basis sets of distributed s-type Gaussian functions with positions and exponen...
The low-lying valence levels of BeO, are calculated by the LCAO MO SCF method in order to ascertain ...
An extensive study of the potential energy curves for all the known electronic states of BeS and BaS...
U ovom radu izračunavam osnovno stanje atoma berilija primjenom nekoliko različitih aproksimativnih ...
It is well known that variational methods produce one-electron radial functions that minimise the to...
https://journals.aps.org/pra/abstract/10.1103/PhysRevA.100.032504Benchmark calculations of the total...
Abstract Accurate variational nonrelativistic quantum-mechanical calculations are performed for the ...
The recently presented general algorithm for calculating an atomic fine structure [Kȩdziorski et al....
Benchmark calculations of the total and transition energies of the four lowest S-1 states of the ber...
Author Institution: Laboratory of Chemical Physics, California Institute of TechnologyMulticonfigura...
Accurate potential energy curves, dipole moment functions, dissociation energies, and molecular cons...
This work concerns ab initio calculations of the complete potential energy curve and spectroscopic c...
Results of calculations using a configuration interaction LCAO-MO method are presented for the X 2Σ+...
International audienceMulticonfiguration self-consistent field and multiconfiguration reference inte...
A very high level of theoretical treatment (complete active space self-consistent field CASSCF/MRCI/...
Using large component basis sets of distributed s-type Gaussian functions with positions and exponen...
The low-lying valence levels of BeO, are calculated by the LCAO MO SCF method in order to ascertain ...
An extensive study of the potential energy curves for all the known electronic states of BeS and BaS...
U ovom radu izračunavam osnovno stanje atoma berilija primjenom nekoliko različitih aproksimativnih ...
It is well known that variational methods produce one-electron radial functions that minimise the to...
https://journals.aps.org/pra/abstract/10.1103/PhysRevA.100.032504Benchmark calculations of the total...
Abstract Accurate variational nonrelativistic quantum-mechanical calculations are performed for the ...
The recently presented general algorithm for calculating an atomic fine structure [Kȩdziorski et al....
Benchmark calculations of the total and transition energies of the four lowest S-1 states of the ber...
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