Very accurate finite-nuclear-mass variational nonrelativistic calculations are performed for the lowest five
1D states (1s2 2p2, 1s2 2s1 3d1, 1s2 2s1 4d1, 1s2 2s1 5d1, and 1s2 2s1 6d1) of the beryllium atom (9Be). The
wave ...
A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated
Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron
have ...
An algorithm for the variational calculation of atomic D states employing n-electron explicitly correlated
Gaussians is developed and implemented. The algorithm includes formulas for the first derivatives
of the Hamiltonian ...
Variational calculations of ground and excited bound states on atomic and molecular systems
performed with basis functions that explicitly depend on the interparticle distances can generate
very accurate results provided ...
Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg 2D states
(1s2nd1, n = 3, . . . ,7) of the lithium atom (7Li). The finite-nuclear-mass approach is employed and the ...
Very accurate variational nonrelativistic finite-nuclear-mass calculations employing all-electron explicitly correlated Gaussian basis functions are carried out for six Rydberg 2D states (1s2nd, n= 6, . . . , 11) of the ...
Very accurate variational non-relativistic calculations are performed for four higher Rydberg 2D
states (1s2nd1, n = 8, . . . , 11) of the lithium atom (7Li). The wave functions of the states are expanded
in terms of ...
Abstract Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated ...