Estimation of the effect of electron correlation on the electron shell reconstruction due to β-decay and on the tritium β-spectrum shape

The results of the investigation of the electron correlation effect on probabilities of the electron shell reconstruction in a series of molecules due to tritium β-decay and β-spectrum parameters are presented. All estimations have been performed by the method of superposition of electron configurations method of configuration interaction (CI). Wave functions of the CI method have been chosen in the form of slater determinant linear combinations in conformity with singlet spin state. The configurations obtained at one- and two-electron excitations form occupied orbitals of the basic state on virtual molecular orbitals determined by the Huzinaga-Arnau method. On the latter a condition has been imposed to form an orthonormal set together with Hartree-Fock orbitals of the ground state