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quant-ph2024
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…
quant-ph2024
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…