5 citations · 5 across the 13 of their papers we have counts for
13 papers
Lower bound for solutions to the secular equation in a direct sum of the Sobolev spaces of divided regions
Sohei Ashida
In this paper a lower bound for solutions to the secular equation of the Schrödinger equation with basis functions discontinuous on boundaries of divided regions is given. If the f…
Critical points of the discretized Hartree-Fock functional of connected molecules preserving structures of molecular fragments
Sohei Ashida
In this paper a method to obtain a critical point of the discretized Hartree-Fock functional from an approximate critical point is given. The method is based on Newton's method on…
Convergence of SCF sequences for the Hartree-Fock equation
Sohei Ashida
The Hartree-Fock equation is a fundamental equation in many-electron problems. It is of practical importance in quantum chemistry to find solutions to the Hartree-Fock equation. Th…
Upper bounds of local electronic densities in molecules
Sohei Ashida
The eigenfunctions of electronic Hamiltonians determine the stable structures and dynamics of molecules through the local distributions of their densities. In this paper an a prior…
Methods for accurate calculations of multi-center integrals of squared Coulomb potentials for lower bounds to energy levels of molecular systems
Sohei Ashida
In this paper methods for calculations of multi-center integrals of squared Coulomb potentials and Slater-type orbitals (STO) are derived. These integrals are necessary for accurat…
Structures of sets of solutions to the Hartree-Fock equation
Sohei Ashida
The Hartree-Fock equation which is the Euler-Lagrange equation corresponding to the Hartree-Fock energy functional is used in many-electron problems. Since the Hartree-Fock equatio…