Adaptive time-dependent coupled cluster method for multiparticle wavepacket dynamics

Details Adaptive time-dependent coupled cluster method for multiparticle wavepacket dynamics Adaptive time-dependent coupled cluster method for multiparticle wavepacket dynamics

2010-08-23

arxiv.org/abs/1008.3835v2

Physics

Quantum Physics

Paper has been temporarily withdrawn due to developments in theory

Scientific paper

A dynamical formulation of coupled cluster theory is derived using a variational principle. By allowing time-dependent single-particle functions, a high degree of adaptivity is introduced, allowing complex systems to be simulated with high accuracy. Equations of motion are derived which are shown to be suitable for computer implementation. The method, called adaptive time-dependent coupled cluster, is a strict generalization of the formulation used in standard coupled cluster response theory, and also represents a systematic hierarchy of size-consistent approximations, including standard time-dependent Hartree--Fock as a trivial case.

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