Showing 2025Show all
2 papers · 1 filter
physics.chem-ph2025
Wavefunction optimization at the complete basis set limit with Multiwavelets and DMRG
Martina Nibbi, Luca Frediani, Evgueni Dinvay +1
The density matrix renormalization group (DMRG) is a powerful numerical technique to solve strongly correlated quantum systems: it deals well with systems which are not dominated b…
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…