Nonlinear response theories and effective pair potentials
arXiv:cond-mat/0703136 · doi:10.1103/PhysRevB.76.144103
Abstract
We present a general method based on nonlinear response theory to obtain effective interactions between ions in an electron gas which can also be applied to other systems where an adiabatic separation of time-scales is possible. Nonlinear contributions to the interatomic potential are expressed in terms of physically meaningful quantities, giving insight in the physical properties of the system. The method is applied to various test cases and is found to improve the standard linear and quadratic response approaches. It also reduces the discrepancies previously observed between perturbation theory and density-functional theory results for the proton-proton pair potentials in metallic environments.
16 pages, 8 figures. v2: some added references, and a few minor modifications. To appear in Phys. Rev. B
References in corpus (4)
- Extending Linear Response: Inferences from Electron-Ion Structure Factors
- On the RKKY range function of a one dimensional non interacting electron gas
- Symmetry breaking and restoring under high pressure: the amazing behaviour of the "simple" alkali metals
- About the screening of the charge of a proton migrating in a metal
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- From Density Response to Energy Functionals and Back: An ab initio perspective on Matter Under Extreme Conditions
- Unravelling the nonlinear ideal density response of many-body systems
- Generalized density functional theory framework for the non-linear density response of quantum many-body systems
- Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling