One of the central challenges of computational molecular investigation is the solution of the
time-independent, nonrelativistic BornÀ Oppenheimer electronic Schrödinger equation. For …

The variational method complemented with the use of explicitly correlated Gaussian basis
functions is one of the most powerful approaches currently used for calculating the …

Since the early work of Hylleraas on the helium atom, 1 it has been common knowledge that,
to accurately account for the interaction between the electrons in an atom or a molecule …

We present results of high-precision calculations for a boron atom's properties using wave
functions expanded in the explicitly correlated Gaussian basis. We demonstrate that the well …

Benchmark variational calculations of the lowest ten Rydberg S 2 states of two stable
isotopes of the boron atom (B 10 and B 11) are reported. The nonrelativistic wave functions …

Nonrelativistic energies for the low-lying states of lithium are calculated using the variational
method in Hylleraas coordinates. Variational eigenvalues for the infinite nuclear mass case …

Hylleraas-configuration-interaction Hy-CI 1 attempts to speed up the convergence of
configuration interaction CI by directly introducing a correlation factor rmn, odd, into the …

The free complement (FC) theory for solving the scaled Schrödinger equation (SSE) was
applied to the Li atom for calculating the exact wave functions, the energies, and the various …

Nonrelativistic, relativistic, quantum electrodynamic, and finite nuclear mass corrections to
the energy levels are obtained for the nS 1/2, n= 3,…, 9 states of the lithium atom …

We report high accuracy calculations of the ground and excited doublet S and P states of
lithium atom. Overall, 24 states corresponding to dominant electronic configurations 1 s 2 ns …