most citedDual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation

5 citations · 5 across the 1 of their papers we have counts for

collaborators

2 papers

physics.comp-ph2018★ 5 cited

Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation

Romain Garnier

Here is presented an original program based on molecular Schrodinger equations. It is dedicated to target specific states of infrared vibrational spectrum in a very precise way wit…

physics.comp-ph2014

Efficient periodic band diagram computation using a finite element method, Arnoldi eigensolver and sparse linear system solver

Romain Garnier, André Barka, Olivier Pascal

We present here a Finite Element Method devoted to the simulation of 3D periodic structures of arbitrary geometry. The numerical method based on ARPACK and PARDISO libraries, is di…