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Nuclear Structure in the Framework of the Unitary Correlation Operator Method

Robert Roth, Thomas Neffb, Hans Feldmeier

Published Jan 1, 2010• 73 citations
OpenAlex

Abstract

Correlations play a crucial role in the nuclear many-body problem. We give an overview of recent developments in nuclear structure theory aiming at the description of these interaction-induced correlations by unitary transformations. We focus on the Unitary Correlation Operator Method (UCOM), which offers a very intuitive, universal and robust approach for the treatment of short-range correlations. We discuss the UCOM formalism in detail and highlight the connections to other methods for the description of short-range correlations and the construction of effective interactions. In particular, we juxtapose UCOM with the Similarity Renormalization Group (SRG) approach, which implements the unitary transformation of the Hamiltonian through a very flexi-ble flow-equation formulation. The UCOM- and SRG-transformed interactions are compared on the level of matrix elements and in many-body calculations within the no-core shell model and with Hartree-Fock plus perturbation theory for a variety of nuclei and observables. These calcu-lations provide a detailed picture of the similarities and differences as well as the advantages and limitations of unitary transformation methods.

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Unitary correlation operator method and similarity renormalization group: Connections and differences

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We discuss relations and differences between two methods for the construction of unitarily transformed effective interactions, the Similarity Renormalization Group (SRG) and Unitary Correlation Operator Method (UCOM). The aim of both methods is to construct a soft phase-shift equivalent effective interaction which is well suited for many-body calculations in limited model spaces. After contrasting the two conceptual frameworks, we establish a formal connection between the initial SRG-generator and the static generators of the UCOM transformation. Furthermore we propose a mapping procedure to extract UCOM correlation functions from the SRG evolution. We compare the effective interactions resulting from the UCOM-transformation and the SRG-evolution on the level of matrix elements, in no-core shell model calculations of light nuclei, and in Hartree-Fock calculations up to $^{208}\mathrm{Pb}$. Both interactions exhibit very similar convergence properties in light nuclei but show a different systematic behavior as function of particle number.

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Unitary correlation operator method from a similarity renormalization group perspective

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We investigate how the unitary correlation operator method (UCOM), developed to explicitly describe the strong short-range central and tensor correlations present in the nuclear many-body system, relates to the similarity renormalization group (SRG), a method to band-diagonalize Hamiltonians by continuous unitary transformations. We demonstrate that the structure of the UCOM transformation, originally motivated from the physically intuitive picture of correlations in coordinate space, arises naturally from the SRG flow equation. Apart from formal considerations we show that the momentum space matrix elements of the effective interactions obtained in both schemes agree extremely well.

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Efforts to describe nuclear structure and dynamics from first principles have advanced significantly in recent years. Exact methods for light nuclei are now able to include continuum degrees of freedom and treat structure and reactions on the same footing, and multiple approximate, computationally efficient many-body methods have been developed that can be routinely applied for medium-mass nuclei. This has made it possible to confront modern nuclear interactions from Chiral Effective Field Theory, that are rooted in Quantum Chromodynamics with a wealth of experimental data. Here, we discuss one of these efficient new many-body methods, the In-Medium Similarity Renormalization Group (IMSRG), and its applications in modern nuclear structure theory. The IMSRG evolves the nuclear many-body Hamiltonian in second-quantized form through continuous unitary transformations that can be implemented with polynomial computational effort. Through suitably chosen generators, we drive the matrix representation of the Hamiltonian in configuration space to specific shapes, e.g., to implement a decoupling of low-and high-energy scales, or to extract energy eigenvalues for a given nucleus. We present selected results from Multireference IMSRG (MR-IMSRG) calculations of open-shell nuclei, as well as proof-of-principle applications for intrinsically deformed medium-mass nuclei. We discuss the successes and prospects of merging the (MR-)IMSRG with many-body methods ranging from Configuration Interaction to the Density Matrix Renormalization Group, with the goal of achieving an efficient simultaneous description of dynamic and static correlationsin atomic nuclei.

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Short-Ranged Central and Tensor Correlations in Nuclear Many-Body Systems

Thomas Neff

In this work a unitary correlation operator is presented that explicitly describes the short-ranged central and tensor correlations in the nuclear many-body system. These short-ranged correlations are induced by the repulsive core and the pronounced tensor force of realistic nucleon-nucleon interactions and cannot be described by the simple many-body states of a mean-field or shell model approach. The unitary correlation operator is discussed for the Argonne V18 and the Bonn-A interactions. Applying the correlation operator onto the Hamiltonian a common effective interaction for low momenta is obtained. Calculations for 4He using the one- and two-body part of the correlated Hamiltonian compare favorably with exact many-body methods. Calculations for 16O and 40Ca which are not possible with exact methods are performed using harmonic oscillator shell model states. The observed deviation from the experimental binding energies and radii is attributed to the missing three-body forces. The correlated interaction in a basis-free representation is used in the Fermionic Molecular Dynamics model to calculate the nuclei of the p- and the sd-shell. In this model the uncorrelated many-particle state is given as a Slaterdeterminant of Gaussian wave-packets with spin and isospin degrees of freedom which allows a consistent description of spherically symmetric, intrinsically deformed and clustered nuclei.

•Jan 1, 2008•5 citations
Correlations play a crucial role in the nuclear many-body problem. We give an overview of recent developments in nuclear structure theory aiming at the description of these interaction-induced correlations by unitary transformations. We focus on the Unitary Correlation Operator Method (UCOM), which offers a very intuitive, universal and robust approach for the treatment of short-range correlations. We discuss the UCOM formalism in detail and highlight the connections to other methods for the description of short-range correlations and the construction of effective interactions. In particular, we juxtapose UCOM with the Similarity Renormalization Group (SRG) approach, which implements the unitary transformation of the Hamiltonian through a very flexi-ble flow-equation formulation. The UCOM- and SRG-transformed interactions are compared on the level of matrix elements and in many-body calculations within the no-core shell model and with Hartree-Fock plus perturbation theory for a variety of nuclei and observables. These calcu-lations provide a detailed picture of the similarities and differences as well as the advantages and limitations of unitary transformation methods.
We discuss relations and differences between two methods for the construction of unitarily transformed effective interactions, the Similarity Renormalization Group (SRG) and Unitary Correlation Operator Method (UCOM). The aim of both methods is to construct a soft phase-shift equivalent effective interaction which is well suited for many-body calculations in limited model spaces. After contrasting the two conceptual frameworks, we establish a formal connection between the initial SRG-generator and the static generators of the UCOM transformation. Furthermore we propose a mapping procedure to extract UCOM correlation functions from the SRG evolution. We compare the effective interactions resulting from the UCOM-transformation and the SRG-evolution on the level of matrix elements, in no-core shell model calculations of light nuclei, and in Hartree-Fock calculations up to 208Pb^{208}\mathrm{Pb}208Pb. Both interactions exhibit very similar convergence properties in light nuclei but show a different systematic behavior as function of particle number.
We investigate how the unitary correlation operator method (UCOM), developed to explicitly describe the strong short-range central and tensor correlations present in the nuclear many-body system, relates to the similarity renormalization group (SRG), a method to band-diagonalize Hamiltonians by continuous unitary transformations. We demonstrate that the structure of the UCOM transformation, originally motivated from the physically intuitive picture of correlations in coordinate space, arises naturally from the SRG flow equation. Apart from formal considerations we show that the momentum space matrix elements of the effective interactions obtained in both schemes agree extremely well.
The Similarity Renormalization Group (SRG) is investigated as a powerful yet practical method to modify nuclear potentials so as to reduce computational requirements for calculations of observables. The key feature of SRG transformations that leads to computational benefits is the decoupling of low-energy nuclear physics from high-energy details of the inter-nucleon interaction. We examine decoupling quantitatively for two-body observables and few-body binding energies. The universal nature of this decoupling is illustrated and errors from suppressing high-momentum modes above the decoupling scale are shown to be perturbatively small. To explore the SRG evolution of many-body forces, we use as a laboratory a one-dimensional system of bosons with short-range repulsion and mid-range attraction, which emulates realistic nuclear forces. The free-space SRG is implemented for few-body systems in a symmetrized harmonic oscillator basis using a recursive construction analogous to no-core shell model implementations. Building on one-dimensional results we performed the first practical evolution of three-dimensional many-body forces within the No-Core Shell Model basis. Results for the 3H binding energy are consistent with previous calculations involving momentum-space evolution of only two-body forces, and validate expectations from calculations in the one-dimensional oscillator basis. When applied to 4He calculations, the two- and three-body oscillator matrix elements yield rapid convergence of the ground-state energy with a small net contribution of the induced four-body force. The radius of light nuclei is also explored in the three-dimensional basis.
Efforts to describe nuclear structure and dynamics from first principles have advanced significantly in recent years. Exact methods for light nuclei are now able to include continuum degrees of freedom and treat structure and reactions on the same footing, and multiple approximate, computationally efficient many-body methods have been developed that can be routinely applied for medium-mass nuclei. This has made it possible to confront modern nuclear interactions from Chiral Effective Field Theory, that are rooted in Quantum Chromodynamics with a wealth of experimental data. Here, we discuss one of these efficient new many-body methods, the In-Medium Similarity Renormalization Group (IMSRG), and its applications in modern nuclear structure theory. The IMSRG evolves the nuclear many-body Hamiltonian in second-quantized form through continuous unitary transformations that can be implemented with polynomial computational effort. Through suitably chosen generators, we drive the matrix representation of the Hamiltonian in configuration space to specific shapes, e.g., to implement a decoupling of low-and high-energy scales, or to extract energy eigenvalues for a given nucleus. We present selected results from Multireference IMSRG (MR-IMSRG) calculations of open-shell nuclei, as well as proof-of-principle applications for intrinsically deformed medium-mass nuclei. We discuss the successes and prospects of merging the (MR-)IMSRG with many-body methods ranging from Configuration Interaction to the Density Matrix Renormalization Group, with the goal of achieving an efficient simultaneous description of dynamic and static correlationsin atomic nuclei.
Efforts to describe nuclear structure and dynamics from first principles have advanced significantly in recent years. Exact methods for light nuclei are now able to include continuum degrees of freedom and treat structure and reactions on the same footing, and multiple approximate, computationally efficient many-body methods have been developed that can be routinely applied for medium-mass nuclei. This has made it possible to confront modern nuclear interactions from Chiral Effective Field Theory, that are rooted in Quantum Chromodynamics with a wealth of experimental data. Here, we discuss one of these efficient new many-body methods, the In-Medium Similarity Renormalization Group (IMSRG), and its applications in modern nuclear structure theory. The IMSRG evolves the nuclear many-body Hamiltonian in second-quantized form through continuous unitary transformations that can be implemented with polynomial computational effort. Through suitably chosen generators, we drive the matrix representation of the Hamiltonian in configuration space to specific shapes, e.g., to implement a decoupling of low-and high-energy scales, or to extract energy eigenvalues for a given nucleus. We present selected results from Multireference IMSRG (MR-IMSRG) calculations of open-shell nuclei, as well as proof-of-principle applications for intrinsically deformed medium-mass nuclei. We discuss the successes and prospects of merging the (MR-)IMSRG with many-body methods ranging from Configuration Interaction to the Density Matrix Renormalization Group, with the goal of achieving an efficient simultaneous description of dynamic and static correlationsin atomic nuclei.
In this work a unitary correlation operator is presented that explicitly describes the short-ranged central and tensor correlations in the nuclear many-body system. These short-ranged correlations are induced by the repulsive core and the pronounced tensor force of realistic nucleon-nucleon interactions and cannot be described by the simple many-body states of a mean-field or shell model approach. The unitary correlation operator is discussed for the Argonne V18 and the Bonn-A interactions. Applying the correlation operator onto the Hamiltonian a common effective interaction for low momenta is obtained. Calculations for 4He using the one- and two-body part of the correlated Hamiltonian compare favorably with exact many-body methods. Calculations for 16O and 40Ca which are not possible with exact methods are performed using harmonic oscillator shell model states. The observed deviation from the experimental binding energies and radii is attributed to the missing three-body forces. The correlated interaction in a basis-free representation is used in the Fermionic Molecular Dynamics model to calculate the nuclei of the p- and the sd-shell. In this model the uncorrelated many-particle state is given as a Slaterdeterminant of Gaussian wave-packets with spin and isospin degrees of freedom which allows a consistent description of spherically symmetric, intrinsically deformed and clustered nuclei.