6 citations · 8 across the 6 of their papers we have counts for
13 papers
Low-complexity approximations with least-squares formulation of the time-dependent Schr{ö}dinger equation
Mi-Song Dupuy, Virginie Ehrlacher, Clément Guillot
We propose new methods designed to numerically approximate the solution to the time dependent Schr{ö}dinger equation, based on two types of ansatz: tensors, and approximation by a…
A posteriori error estimates for Schr{ö}dinger operators discretized with linear combinations of atomic orbitals
Geneviève Dusson, Mi-Song Dupuy, Ioanna-Maria Lygatsika
We establish guaranteed and practically computable a posteriori error bounds for source problems and eigenvalue problems involving linear Schr{ö}dinger operators with atom-centered…
Linear response and resonances in adiabatic time-dependent density functional theory
Mi-Song Dupuy, Eloïse Letournel, Antoine Levitt
We consider the electrons of a molecule in the adiabatic time-dependent density functional theory approximation. We establish the well-posedness of the time evolution and its linea…
A space-time variational formulation for the many-body electronic Schr{ö}dinger evolution equation
Mi-Song Dupuy, Virginie Ehrlacher, Clément Guillot
We prove in this paper that the solution of the time-dependent Schr{ö}dinger equation can be expressed as the solution of a global space-time quadratic minimization problem that is…
The density-density response function in time-dependent density functional theory: mathematical foundations and pole shifting
Thiago Carvalho Corso, Mi-Song Dupuy, Gero Friesecke
We establish existence and uniqueness of the solution to the Dyson equation for the density-density response function in time-dependent density functional theory (TDDFT) in the ran…
Dissociation limit of the H2 molecule in the particle-hole random phase approximation
Mi-Song Dupuy, Kyle Thicke
In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy o…