The nonrelativistic energies of the core-excited ls2snp ^(4)P(n=2,3,4,5)states for the lithium isoelectronic sequence from Be Ⅱ to O Ⅵ are calculated with a full core plus correlation method using multiconfiguration...The nonrelativistic energies of the core-excited ls2snp ^(4)P(n=2,3,4,5)states for the lithium isoelectronic sequence from Be Ⅱ to O Ⅵ are calculated with a full core plus correlation method using multiconfiguration interaction wavefunctions.The relativistic and mass-polarization effects on the energy are evaluated as the first order perturbation theory.Our predicted energies are lower than other theoretical results.They show that this full core plus correlation method is useful for the core-excited systems.展开更多
The modified configuration interaction method is extended to double electronic systems in magnetic fields.Eigen-values and binding energies of ground state of H^(-) ion and He atom in uniform magnetic fields are calcu...The modified configuration interaction method is extended to double electronic systems in magnetic fields.Eigen-values and binding energies of ground state of H^(-) ion and He atom in uniform magnetic fields are calculated.In a range running from low to intermediate magnetic fields,the best results with relative errors of 1.0×10^(-5) and 1.4×10^(-6) for H^(-) and He,respectively,are obtained.The accuracy of our results are almost 2 orders of magnitude better than those obtained by the other methods.展开更多
A method suitable for two-electron systems in a range running from low to high fields is given.ML=-1 triplet state of H-ion and He atom are used to introduce the new means.All the matrix elements in our calculations a...A method suitable for two-electron systems in a range running from low to high fields is given.ML=-1 triplet state of H-ion and He atom are used to introduce the new means.All the matrix elements in our calculations are formulated as products of simple,independent one-dimensional numerical integrals and analytic ones.As a result,lower energies compared to those obtained with spherical coordinates in low fields,and cylindrical coordinates in high fields are presented.展开更多
文摘The nonrelativistic energies of the core-excited ls2snp ^(4)P(n=2,3,4,5)states for the lithium isoelectronic sequence from Be Ⅱ to O Ⅵ are calculated with a full core plus correlation method using multiconfiguration interaction wavefunctions.The relativistic and mass-polarization effects on the energy are evaluated as the first order perturbation theory.Our predicted energies are lower than other theoretical results.They show that this full core plus correlation method is useful for the core-excited systems.
基金Supported by the National Natural Science Foundation of China under Grant No.19674064.
文摘The modified configuration interaction method is extended to double electronic systems in magnetic fields.Eigen-values and binding energies of ground state of H^(-) ion and He atom in uniform magnetic fields are calculated.In a range running from low to intermediate magnetic fields,the best results with relative errors of 1.0×10^(-5) and 1.4×10^(-6) for H^(-) and He,respectively,are obtained.The accuracy of our results are almost 2 orders of magnitude better than those obtained by the other methods.
基金the National Natural Science Foundation of China under Grant No.19674064.
文摘A method suitable for two-electron systems in a range running from low to high fields is given.ML=-1 triplet state of H-ion and He atom are used to introduce the new means.All the matrix elements in our calculations are formulated as products of simple,independent one-dimensional numerical integrals and analytic ones.As a result,lower energies compared to those obtained with spherical coordinates in low fields,and cylindrical coordinates in high fields are presented.
