Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Quantum-mechanical systems in traps and Similarity Renormalization Group theory

Sarah Reimann

Published Jan 1, 2013• 7 citations
OpenAlex

Abstract

We apply the Similarity Renormalization Group (SRG) method to quantum dots, using the same methodology that has recently had great success in the nuclear physics community. The SRG method can be realized in two different ways: In free space with respect to the physical vacuum state, or in-medium using the particle-hole formalism of second quantization. We start with the free-space approach, which is computationally less effective but has the advantage that no truncation occurs. We analyse the ground state using two different generators, Wegner's canonical generator and a modified version of that one, and meet numerical problems by replacing the standard Coulomb by an effective interaction and the harmonic oscillator by a Hartree-Fock basis. Afterwards, we apply the recently evolved in-medium SRG approach to our electronic systems. Here we choose the IM-SRG(2) method, meaning that all operators are truncated on a two-body level. Again, we apply two different generators, Wegner's canonical generator and White's generator. We demonstrate that Wegner's generator leads to numerical instabilities and stiff equation systems, especially for systems with comparatively high correlations. Computations with White's generator, on the other hand, are shown to be much more efficient and require less CPU time, especially as the size of the basis is increased. This enables us to look at systems up to N=42 particles. To analyse the capabilities of IM-SRG(2), we compare our results for the ground state energy with other ab-initio many-body methods, including Hartree-Fock, Coupled Cluster, Diffusion Monte Carlo and Full Configuration Interaction. Finally, we use the IM-SRG(2) results to study the role of correlations in two-dimensional quantum dots.

Related papers

A driven similarity renormalization group approach to quantum many-body problems

Francesco A. Evangelista

Applications of the similarity renormalization group (SRG) approach [F. Wegner, Ann. Phys. 506, 77 (1994) and S. D. Głazek and K. G. Wilson, Phys. Rev. D 49, 4214 (1994)] to the formulation of useful many-body theories of electron correlation are considered. In addition to presenting a production-level implementation of the SRG based on a single-reference formalism, a novel integral version of the SRG is reported, in which the flow of the Hamiltonian is driven by a source operator. It is shown that this driven SRG (DSRG) produces a Hamiltonian flow that is analogous to that of the SRG. Compared to the SRG, which requires propagating a set of ordinary differential equations, the DSRG is computationally advantageous since it consists of a set of polynomial equations. The equilibrium distances, harmonic vibrational frequencies, and vibrational anharmonicities of a series of diatomic molecules computed with the SRG and DSRG approximated with one- and two-body normal ordered operators are in good agreement with benchmark values from coupled cluster with singles, doubles, and perturbative triples. Particularly surprising results are found when the SRG and DSRG methods are applied to C2 and F2. In the former case, both methods fail to converge, while in the latter case an unbound potential energy curve is obtained. A modified commutator approximation is shown to correct these problems in the case of the DSRG method.

arXiv:1406.0114•The Journal of Chemical Physics•Aug 5, 2014•140 citations

In-Medium Similarity Renormalization Group For Nuclei

Koshiroh Tsukiyama, S. K. Bogner, A. Schwenk

We present a new ab initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in free space, we perform the SRG evolution "in medium" directly in the A-body system of interest. The in-medium approach has the advantage that one can approximately evolve 3,…,A-body operators using only two-body machinery based on normal-ordering techniques. The method is nonperturbative and can be tailored to problems ranging from the diagonalization of closed-shell nuclei to the construction of effective valence-shell Hamiltonians and operators. We present first results for the energies of 4He, 16O, and 40Ca, which have accuracies comparable to coupled-cluster calculations.

arXiv:1006.3639•Physical Review Letters•Jun 1, 2011•273 citations

Addition and removal energies of circular quantum dots

Fei Yuan, Samuel J. Novario, Nathan M. Parzuchowski +3 more

We present and compare several many-body methods as applied to two-dimensional quantum dots with circular symmetry. We calculate the approximate ground state energy using a harmonic oscillator basis optimized by Hartree-Fock (HF) theory and further improve the ground state energy using two post-HF methods: in-medium similarity renormalization group and coupled cluster with singles and doubles. With the application of quasidegenerate perturbation theory or the equations-of-motion method to the results of the previous two methods, we obtain addition and removal energies as well. Our results are benchmarked against full configuration interaction and diffusion Monte Carlo where available. We examine the rate of convergence and perform extrapolations to the infinite basis limit using a power-law model.

arXiv:1707.00229•The Journal of Chemical Physics•Oct 26, 2017•3 citations

Applications of the Similarity Renormalization Group to the Nuclear Interaction

Eric Jurgenson

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.

arXiv:0912.2937•Dec 15, 2009•5 citations

Group-theoretical approach to interaction renormalization forab initiosolutions of the nuclear problem

K. D. Sviratcheva, Jerry Paul Draayer, T. Dytrych

For many problems in nuclear, high-energy and solid-state physics a crucial step toward a solution involves a diagonalization or simplification of the Hamiltonian of a many-body quantum-mechanical system. Problems of interest include renormalization of the Hamiltonian to accommodate excluded basis spaces, decoupling of a model space region of special interest from irrelevant configurations, or near-diagonalization to invoke perturbative treatments. In such applications, the Similarity Renormalization Group (SRG) approach (or flow equations ) can provide solutions where more conventional methods fail. We show that when SRG employs a near symmetry of a system, utilizing the Casimir invariant operators, it evolves the Hamiltonian of the system toward a (block-)diagonal form that can be realized in terms of a finite number of integrity basis operators. In particular, for atomic nuclei, an SRG flow equation that utilizes the SU(3) symmetry, which often dominates the nuclear dynamics, is found to naturally evolve a nucleon-nucleon (NN) interaction toward a block-diagonal form. A remarkable consequence is that a renormalized SU(3)-preserving many-body Hamiltonian expressed in terms of only the SU(3) integrity basis realizes energy spectra identical to the ones of the original realistic NN interaction, which reflects the low-energy symmetries as well as symmetry-breaking patterns of quantum chromodynamics. Such a scheme is especially suitable for ab initio SU(3) symmetry-adapted shell model calculations, which can further allow for perturbative treatments of the nuclear interaction. Moreover, the use of symmetries dramatically reduces the size of the problem, as the flow equation can be rewritten in terms of SU(3) reduced matrix elements of the NN interaction. This is crucial for maintaining the unitarity of the SRG transformations that generate many-body interactions.

Journal of Physics Conference Series•Mar 1, 2011•0 citations

Stochastic Similarity Renormalization Group

Rongzhe Hu, Xin Zhen, Furong Xu +1 more

By integrating the quantum Monte Carlo technique into the similarity renormalization group (SRG), we have developed a stochastic SRG framework (SRGQMC) capable of both free-space two-body and in-medium many-body evolutions. This approach circumvents the combinatorial tensor-space explosion of many-body flow equations by mapping continuous unitary transformations onto an ensemble of signed random walkers. We benchmark the SRGQMC against deterministic free-space SRG evolutions of realistic nucleon-nucleon (NN) interactions, as well as against in-medium SRG (IMSRG) many-body calculations with the Richardson pairing model at two- and three-body levels [IMSRG(2)/(3)]. While a deterministic extension to the four-body level [IMSRG(4)] remains unfeasible due to prohibitive computational costs, we have achieved the first IMSRG(4) calculation by using the stochastic technique, demonstrating a substantial improvement toward the full configuration-interaction limit. This stochastic framework provides a practical pathway to higher-order IMSRG calculations.

arXiv:2607.08830•Jul 9, 2026•0 citations
We apply the Similarity Renormalization Group (SRG) method to quantum dots, using the same methodology that has recently had great success in the nuclear physics community. The SRG method can be realized in two different ways: In free space with respect to the physical vacuum state, or in-medium using the particle-hole formalism of second quantization. We start with the free-space approach, which is computationally less effective but has the advantage that no truncation occurs. We analyse the ground state using two different generators, Wegner's canonical generator and a modified version of that one, and meet numerical problems by replacing the standard Coulomb by an effective interaction and the harmonic oscillator by a Hartree-Fock basis. Afterwards, we apply the recently evolved in-medium SRG approach to our electronic systems. Here we choose the IM-SRG(2) method, meaning that all operators are truncated on a two-body level. Again, we apply two different generators, Wegner's canonical generator and White's generator. We demonstrate that Wegner's generator leads to numerical instabilities and stiff equation systems, especially for systems with comparatively high correlations. Computations with White's generator, on the other hand, are shown to be much more efficient and require less CPU time, especially as the size of the basis is increased. This enables us to look at systems up to N=42 particles. To analyse the capabilities of IM-SRG(2), we compare our results for the ground state energy with other ab-initio many-body methods, including Hartree-Fock, Coupled Cluster, Diffusion Monte Carlo and Full Configuration Interaction. Finally, we use the IM-SRG(2) results to study the role of correlations in two-dimensional quantum dots.
Applications of the similarity renormalization group (SRG) approach [F. Wegner, Ann. Phys. 506, 77 (1994) and S. D. Głazek and K. G. Wilson, Phys. Rev. D 49, 4214 (1994)] to the formulation of useful many-body theories of electron correlation are considered. In addition to presenting a production-level implementation of the SRG based on a single-reference formalism, a novel integral version of the SRG is reported, in which the flow of the Hamiltonian is driven by a source operator. It is shown that this driven SRG (DSRG) produces a Hamiltonian flow that is analogous to that of the SRG. Compared to the SRG, which requires propagating a set of ordinary differential equations, the DSRG is computationally advantageous since it consists of a set of polynomial equations. The equilibrium distances, harmonic vibrational frequencies, and vibrational anharmonicities of a series of diatomic molecules computed with the SRG and DSRG approximated with one- and two-body normal ordered operators are in good agreement with benchmark values from coupled cluster with singles, doubles, and perturbative triples. Particularly surprising results are found when the SRG and DSRG methods are applied to C2 and F2. In the former case, both methods fail to converge, while in the latter case an unbound potential energy curve is obtained. A modified commutator approximation is shown to correct these problems in the case of the DSRG method.
We present a new ab initio method that uses similarity renormalization group (SRG) techniques to continuously diagonalize nuclear many-body Hamiltonians. In contrast with applications of the SRG to two- and three-nucleon interactions in free space, we perform the SRG evolution "in medium" directly in the A-body system of interest. The in-medium approach has the advantage that one can approximately evolve 3,…,A-body operators using only two-body machinery based on normal-ordering techniques. The method is nonperturbative and can be tailored to problems ranging from the diagonalization of closed-shell nuclei to the construction of effective valence-shell Hamiltonians and operators. We present first results for the energies of 4He, 16O, and 40Ca, which have accuracies comparable to coupled-cluster calculations.
We present and compare several many-body methods as applied to two-dimensional quantum dots with circular symmetry. We calculate the approximate ground state energy using a harmonic oscillator basis optimized by Hartree-Fock (HF) theory and further improve the ground state energy using two post-HF methods: in-medium similarity renormalization group and coupled cluster with singles and doubles. With the application of quasidegenerate perturbation theory or the equations-of-motion method to the results of the previous two methods, we obtain addition and removal energies as well. Our results are benchmarked against full configuration interaction and diffusion Monte Carlo where available. We examine the rate of convergence and perform extrapolations to the infinite basis limit using a power-law model.
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.
For many problems in nuclear, high-energy and solid-state physics a crucial step toward a solution involves a diagonalization or simplification of the Hamiltonian of a many-body quantum-mechanical system. Problems of interest include renormalization of the Hamiltonian to accommodate excluded basis spaces, decoupling of a model space region of special interest from irrelevant configurations, or near-diagonalization to invoke perturbative treatments. In such applications, the Similarity Renormalization Group (SRG) approach (or flow equations ) can provide solutions where more conventional methods fail. We show that when SRG employs a near symmetry of a system, utilizing the Casimir invariant operators, it evolves the Hamiltonian of the system toward a (block-)diagonal form that can be realized in terms of a finite number of integrity basis operators. In particular, for atomic nuclei, an SRG flow equation that utilizes the SU(3) symmetry, which often dominates the nuclear dynamics, is found to naturally evolve a nucleon-nucleon (NN) interaction toward a block-diagonal form. A remarkable consequence is that a renormalized SU(3)-preserving many-body Hamiltonian expressed in terms of only the SU(3) integrity basis realizes energy spectra identical to the ones of the original realistic NN interaction, which reflects the low-energy symmetries as well as symmetry-breaking patterns of quantum chromodynamics. Such a scheme is especially suitable for ab initio SU(3) symmetry-adapted shell model calculations, which can further allow for perturbative treatments of the nuclear interaction. Moreover, the use of symmetries dramatically reduces the size of the problem, as the flow equation can be rewritten in terms of SU(3) reduced matrix elements of the NN interaction. This is crucial for maintaining the unitarity of the SRG transformations that generate many-body interactions.
By integrating the quantum Monte Carlo technique into the similarity renormalization group (SRG), we have developed a stochastic SRG framework (SRGQMC) capable of both free-space two-body and in-medium many-body evolutions. This approach circumvents the combinatorial tensor-space explosion of many-body flow equations by mapping continuous unitary transformations onto an ensemble of signed random walkers. We benchmark the SRGQMC against deterministic free-space SRG evolutions of realistic nucleon-nucleon (NN) interactions, as well as against in-medium SRG (IMSRG) many-body calculations with the Richardson pairing model at two- and three-body levels [IMSRG(2)/(3)]. While a deterministic extension to the four-body level [IMSRG(4)] remains unfeasible due to prohibitive computational costs, we have achieved the first IMSRG(4) calculation by using the stochastic technique, demonstrating a substantial improvement toward the full configuration-interaction limit. This stochastic framework provides a practical pathway to higher-order IMSRG calculations.