Control of conductance in molecular junctions is of key importance in the growing field of
molecular electronics. The current in these junctions is often controlled by an electric gate …

New downward recursion and analytical approaches are presented for the calculation of
incomplete gamma functions γ (α, x) and Γ (α, x). The efficiency of calculation with an …

The series expansion formulae are derived for the overlap integrals with arbitrary integer n
and noninteger n* Slater-type orbitals (ISTOs and NISTOs) in terms of a product of well …

It can readily be demonstrated that atomic and molecular orbitals must decay exponentially
at long-range. They should also possess cusps when two particles approach each other …

A general formula has been established for the expansion of the product of two normalized
associated Legendre functions centered on the nuclei a and b. This formula has been …

The design of materials needed for the storage, delivery, and conversion of (re) useable
energy is still hindered by the lack of new, hierarchical molecular screening methodologies …

Ab initio calculations of the orbital and the ground state energies of some open‐and closed‐
shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals …

A unified treatment of multicenter nuclear-attraction integrals with integer n and noninteger
n* Slater-type orbitals (ISTOs and NISTOs) is described. Using different sets of series …

Review publications show the advantages of using quantum Monte Carlo (QMC) methods
when bonding interactions are modified and consequently, where the electron correlation …

A general analytic formula is obtained for the two‐center Coulomb integrals over Slater‐type
orbitals in elliptical coordinates. Finite series expansions are used in the evaluation of the …