Many-body formalism for fermions: Testing the enforcement of the Pauli principle

被引:6
作者
Watson, D. K. [1 ]
机构
[1] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA
关键词
HARTREE-FOCK APPROXIMATION; PERTURBATION-THEORY; WAVE-FUNCTIONS; EXPANSION; ENERGIES; SYSTEMS;
D O I
10.1103/PhysRevA.93.023622
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Enforcing the Pauli principle in many-body systems of fermions to ensure an antisymmetric wave function is typically a numerically expensive task. Numerical methods, such as coupled-cluster, correlated basis function, Monte Carlo, and traditional configuration interaction, scale with powers of N that make the determination of the energy spectrum of these systems a challenge. In a recent paper, we successfully obtained energies for large systems of fermions in the unitary regime in which we applied the Pauli principle "on paper" without obtaining an explicit wave function. This approach, an extension of the symmetry invariant perturbation method to fermions, applies the Pauli principle by imposing restrictions on the quantum numbers used to obtain the energy. As a followup to this study, we perform an explicit test of the validity of this application of the Pauli principle by comparing our energy results against the energies corresponding to explicitly antisymmetrized wave functions for an exactly solvable system of harmonically confined, harmonically interacting fermions. Our results show that our simple method of applying the Pauli principle selects from a spectrum of possible many-body energies only those energies that correspond to explicitly antisymmetrized wave functions. Our results were tested for values of N through approximate to 10 000 and for weak and strong interactions both repulsive and attractive.
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页数:4
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  • [1] Coupled-cluster theory in quantum chemistry
    Bartlett, Rodney J.
    Musial, Monika
    [J]. REVIEWS OF MODERN PHYSICS, 2007, 79 (01) : 291 - 352
  • [2] Universal properties of a trapped two-component fermi gas at unitarity
    Blume, D.
    Von Stecher, J.
    Greene, Chris H.
    [J]. PHYSICAL REVIEW LETTERS, 2007, 99 (23)
  • [3] Towards an exact description of electronic wavefunctions in real solids
    Booth, George H.
    Grueneis, Andreas
    Kresse, Georg
    Alavi, Ali
    [J]. NATURE, 2013, 493 (7432) : 365 - 370
  • [4] HOW GOOD IS HARTREE-FOCK APPROXIMATION .2. CASE OF CLOSED SHELLS
    CALLES, A
    MOSHINSKY, M
    [J]. AMERICAN JOURNAL OF PHYSICS, 1970, 38 (04) : 456 - +
  • [5] Reptation quantum Monte Carlo algorithm for lattice Hamiltonians with a directed-update scheme
    Carleo, Giuseppe
    Becca, Federico
    Moroni, Saverio
    Baroni, Stefano
    [J]. PHYSICAL REVIEW E, 2010, 82 (04):
  • [6] Predicting energies of small clusters from the inhomogeneous unitary Fermi gas
    Carlson, J.
    Gandolfi, S.
    [J]. PHYSICAL REVIEW A, 2014, 90 (01):
  • [7] Coupled-cluster theory for systems of bosons in external traps
    Cederbaum, LS
    Alon, OE
    Streltsov, AI
    [J]. PHYSICAL REVIEW A, 2006, 73 (04):
  • [8] Unitary Fermi gas in a harmonic trap
    Chang, S. Y.
    Bertsch, G. F.
    [J]. PHYSICAL REVIEW A, 2007, 76 (02):
  • [9] Analytic, group-theoretic wave functions for confined, correlated N-body systems with general two-body interactions
    Dunn, M.
    Watson, D. K.
    Loeser, J. G.
    [J]. ANNALS OF PHYSICS, 2006, 321 (08) : 1939 - 1980
  • [10] A LINEAR ALGEBRAIC-METHOD FOR EXACT COMPUTATION OF THE COEFFICIENTS OF THE 1/D EXPANSION OF THE SCHRODINGER-EQUATION
    DUNN, M
    GERMANN, TC
    GOODSON, DZ
    TRAYNOR, CA
    MORGAN, JD
    WATSON, DK
    HERSCHBACH, DR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (07) : 5987 - 6004