6 papers
A Regularized Shallow Water System
Evgueni Dinvay, Henrik Kalisch
The shallow-water system is a standard model for long waves in shallow water. The system is hyperbolic and, for a large class of initial data, solutions develop steep gradients lea…
A Fixed-Grid Affine-Constrained Multiwavelet Coefficient Method for Buckley--Leverett Shock Capturing
Christian Tantardini, Evgueni Dinvay
We present a fixed-grid conservative affine-constrained modal/multiwavelet coefficient method for one-dimensional Buckley--Leverett saturation transport. The saturation is evolved…
Newton optimization for the Multiconfiguration Self Consistent Field method at the basis set limit: closed-shell two-electron systems
Evgueni Dinvay, Rasmus Vikhamar-Sandberg
The multiconfiguration self-consistent field (MCSCF) method is revisited with a specific focus on two-electron systems for simplicity. The wave function is represented as a linear…
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…
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…
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…