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arXiv:1208.0122 · International Journal of Modern Physics E

A TIME-DEPENDENT MULTI-DETERMINANT APPROACH TO NUCLEAR DYNAMICS

G. Puddu

Published Jun 1, 2013• 3 citations
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Abstract

We propose a Time-Dependent Multi-Determinant (TDMD) approach to the description of the time evolution of the nuclear wave functions. We use the Dirac variational principle to derive the equations of motion using as ansatz for the nuclear wave function a linear combination of Slater determinants. We prove explicitly that the norm and the energy of the wave function are conserved during the time evolution. This approach is a generalization of the time-dependent Hartree–Fock method to many Slater determinants. We apply this approach to a case study of 6 Li using the N3LO interaction renormalized to four major harmonic oscillator shells. We solve the TDMD equations of motion using Krylov subspace methods of Lanczos type. As an application, we discuss the isoscalar monopole strength function.

DOI
10.1142/s0218301313500407

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We propose a Time-Dependent Multi-Determinant (TDMD) approach to the description of the time evolution of the nuclear wave functions. We use the Dirac variational principle to derive the equations of motion using as ansatz for the nuclear wave function a linear combination of Slater determinants. We prove explicitly that the norm and the energy of the wave function are conserved during the time evolution. This approach is a generalization of the time-dependent Hartree–Fock method to many Slater determinants. We apply this approach to a case study of 6 Li using the N3LO interaction renormalized to four major harmonic oscillator shells. We solve the TDMD equations of motion using Krylov subspace methods of Lanczos type. As an application, we discuss the isoscalar monopole strength function.
The time-dependent Hartree-Fock equations are derived from a variational principle for the general N-body action of a Slater determinant of single-electron orbitals. The variational principle generalizes commonly used variational treatments based on reduced two-body actions. The self-consistent field equations are found to contain time-dependent corrections to the standard mean-field interactions. Their physical significance is discussed and a time-dependent phase shift to the Slater determinant is obtained that properly accounts for the total interaction energy in the mean-field approach.
A configuration-interaction time-dependent density functional theory (CI-TDDFT) for nuclear dynamics is developed. In this framework, the correlated nuclear many-body wave function is expanded in terms of time-dependent many-particle configurations built from a common set of orthonormal single-particle states. The equations of motion for both the expansion coefficients and the single-particle states are derived self-consistently using the Dirac-Frenkel time-dependent variational principle. This formulation extends conventional time-dependent density functional theory (TDDFT) by incorporating configuration mixing and beyond-mean-field correlations, while preserving energy and particle-number conservation. As an illustrative application, the method is implemented using the relativistic point-coupling functional PC-PK1 in the particle-hole channel and a monopole pairing interaction in the particle-particle channel, and is applied to the study of isoscalar giant monopole resonance in 58^{58}58Ni and 60^{60}60Ni. Numerical tests show that both the total energy and particle number are conserved, with relative deviations within 4×10−44\times 10^{-4}4×10−4 during the time evolution. Compared with conventional TDDFT, CI-TDDFT yields broader strength distributions for giant monopole resonances while keeping the main peak positions close to those from TDDFT. This broadening is associated with configuration mixing in the valence space and suggests a coupling of the monopole oscillation to additional collective degrees of freedom. These results demonstrate the potential of CI-TDDFT as a quantum, microscopic beyond-mean-field framework for nuclear dynamics.
A time-dependent variational procedure is proposed that possesses the same constants of the motion as the exact many-body Schr\"odinger dynamics. The class of trial wave functions is larger than the manifold of Slater determinants that supports the time-dependent Hartree-Fock dynamics. These wave functions can be regarded as superpositions of the eigenfunctions of the conserved observable of interest and the variational equations display the usual parametric structure, with properly admixed energy gradients and the symplectic metric tensor. In an application to the Lipkin-Meshkov-Glick model, significant improvements over the usual mean-field or determinantal dynamics can be achieved.NUCLEAR STRUCTURE Mean field symmetry breaking; symmetry restoration; nondeterminantal wave function; time-dependent variational principle; parametric equations of motion; mean energy metric tensor; canonical coordinates; quasispin models; comparison with time-dependent Hartree-Fock dynamics.
The variational derivation of the time-dependent Hartree-Fock equation is reviewed. When norm-violating variations are included, a unique time-dependent Hartree-Fock Hamiltonian, which differs from that customarily used in time-dependent Hartree-Fock analyses, is implied. This variationally "true" Hartree-Fock Hamiltonian has the same expectation value as the exact Hamiltonian, equal to the average energy of the system. Since this quantity remains constant under time-dependent Hartree-Fock time evolution, we suggest the label "constant 〈H〉〈H〉〈H〉" for this form of time-dependent Hartree-Fock theory.NUCLEAR REACTIONS Unique time-dependent Hartree-Fock Hamiltonian obtained from variational principle by norm-violating variations.
Abstract. Using the time-dependent theory of quantum mechanics, we investigate nuclear electric dipole responses. The time evolution of a wave function is explicitly calculated in the coordinatespace representation. The particle continuum is treated with the absorbing boundary condition. Calculated time-dependent quantities are transformed into those of familiar energy representation. We apply the method to a three-body model for 11 Li and to the mean-field model for 22 O, then discuss properties of E1 response. TIME-DEPENDENT METHOD FOR NUCLEAR RESPONSES Atomic nuclei exhibit a variety of responses to different experimental probes; Coulomb and nuclear excitations, spin- and isospin-dependent probes, high- and low-energy reactions. In order to investigate properties of these nuclear excitations, it is useful to study response function for a probe (external) operator of interest. Normally, these quantum many-body problems are theoretically studied using the energy representation, in which calculations are carried out by either diagonalizing the Hamiltonian matrices or solving differential equations with a fixed energy. These approaches are advantageous when we are interested in states within a limited energy range. However, when we calculate