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quant-ph2026
Riemannian gradient descent for Hartree-Fock theory
Evgueni Dinvay
We present a Riemannian optimization framework for Hartree-Fock theory formulated directly in the Sobolev space . The orthonormality constraints are interpreted geometrically…
quant-ph2025
Heat semigroup representation of Laplacian
Evgueni Dinvay
This work introduces novel numerical algorithms for computational quantum mechanics, grounded in a representation of the Laplace operator -- frequently used to model kinetic energy…