Skyrme functional from a three-body pseudopotential of second order in gradients: Formalism for central terms
2013
In one way or the other, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes multi-reference (MR) EDF calculations by contaminating the energy with spurious self-interactions that, for example, lead to finite steps or even divergences when plotting it as a function of collective coordinates. As of today, the only viable option to bypass these pathologies is to rely on EDF kernels that enforce Pauli's principle from the outset by strictly and exactly deriving from a genuine, i.e. density-independent, Hamilton operator. We wish to develop the most general Skyrme-like EDF parametrization containing linear, bilinear and trilinear terms in the density matrices with up to two gradients, under the key constraint that it derives strictly from an effective Hamilton operator. The most general three-body Skyrme-like pseudo-potential containing up to two gradient operators is constructed to generate the trilinear part. The present study is limited to central terms. Spin-orbit and tensor will be addressed in a forthcoming paper.
Keywords:
- Pauli exclusion principle
- Hamiltonian (quantum mechanics)
- Tensor
- Mathematical analysis
- Bilinear interpolation
- Parametrization
- Atomic physics
- Operator (computer programming)
- Matrix (mathematics)
- Physics
- Quantum mechanics
- Pseudopotential
- Spurious relationship
- Nuclear physics
- Theoretical physics
- Formalism (philosophy)
- Correction
- Source
- Cite
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