14 citations · 16 across the 12 of their papers we have counts for
12 papers
Feasibility of first principles molecular dynamics in fault-tolerant quantum computer by quantum phase estimation
Ichio Kikuchi, Akihito Kikuchi
This article shows a proof of concept regarding the feasibility of ab initio molecular simulation, wherein the wavefunctions and the positions of nuclei are simultaneously determin…
Symbolic, numeric and quantum computation of Hartree-Fock equation
Ichio Kikuchi, Akihito Kikuchi
In this article, we discuss how a kind of hybrid computation, which employs symbolic, numeric, classic, and quantum algorithms, allows us to conduct Hartree-Fock electronic structu…
Molecular Algebraic Geometry: Electronic Structure of H as Algebraic Variety
Ichio Kikuchi, Akihito Kikuchi
In this article, we demonstrate the restricted Hartree-Fock electronic structure computation of the molecule through computational algebra. We approximate the Hartree-Fock…
Lie algebra in quantum physics by means of computer algebra
Ichio Kikuchi, Akihito Kikuchi
This article explains how to apply the computer algebra package GAP (www.gap-system.org) in the computation of the problems in quantum physics, in which the application of Lie alge…
Computer Algebra and Material Design
Akihito Kikuchi
This article is intended to an introductory lecture in material physics, in which the modern computational group theory and the electronic structure calculation are in collaboratio…
Multi-reference extension to virtual crystal approximation pseudo-potentials
Akihito Kikuchi
In this study a computational method of the multi-reference VCA(virtual crystal approximation) pseudo-potential generation is presented. This is an extension of that proposed Ramer…