Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations

Claude Bardos (1) , Isabelle Catto (2) , Norbert j. Mauser (3, 4) , Saber Trabelsi (1, 4, 3)

1 LJLL - Laboratoire Jacques-Louis Lions
2 CEREMADE - CEntre de REcherches en MAthématiques de la DEcision
3 WPI - Wolfgang Pauli Institute
4 ICP - Institut CNRS-PAULI

In this paper we formulate and analyze the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) equations for molecular systems with pairwise interaction. This is an approximation of the N -particle time dependent Schrödinger equation which involves (time-dependent) linear combination of (time-dependent) Slater determinants.

Mots clés: MCTDH

Domaines: Analyse numérique [cs.NA]; Physique mathématique [math-ph]; Equations aux dérivées partielles [math.AP]

Claude Bardos, Isabelle Catto, Norbert j. Mauser, Saber Trabelsi. Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations. Archive for Rational Mechanics and Analysis, 2010, 198 (1), pp.273-330. ⟨10.1007/s00205-010-0308-8⟩. ⟨hal-00392136⟩