نتایج جستجو برای: slater determinant
تعداد نتایج: 49507 فیلتر نتایج به سال:
We evaluate a curious determinant, first mentioned by George Andrews in 1980 in the context of descending plane partitions. Our strategy is to combine the famous Desnanot-Jacobi-Carroll identity with automated proof techniques. More precisely, we follow the holonomic ansatz that was proposed by Doron Zeilberger in 2007. We derive a compact and nice formula for Andrews’s determinant, and use it ...
It is recommended that lattice QCD representations of the fermion determinant, including the discretization of the Dirac operator, be checked in the continuum limit against known QED determinant results. Recent work on the massive QED fermion determinant in two dimensions is reviewed. A feasible approach to the four-dimensional QED determinant with O(2) × O(3) symmetric background fields is bri...
We investigate the continuum limit of the rooted staggered action in the 2-dimensional Schwinger model. We match both the unrooted and rooted staggered determinants with an overlap fermion determinant of two (one) flavors and a local pure gauge effective action by fitting the coefficients of the effective action and the mass of the overlap operator. The residue of this fit measures the differen...
The mean field limit for systems of many fermions is naturally coupled with a semiclassical limit. This makes the analysis of the mean field regime much more involved, compared with bosonic systems. In this paper, we study the dynamics of initial data close to a Slater determinant, whose reduced one-particle density is an orthogonal projection ωN with the appropriate semiclassical structure. As...
The n-electron ground state of the Friedel resonance model can be written as a single Slater determinant of n s-electrons plus one d-electron-s-hole companion. This new formula is derived geometrically in the Hilbert space. The derivation uses the fact that a n-electron Slater determinant, built from N band states, corresponds to a n-dimensional subspace in the N-dimensional Hilbert space. PACS...
With the help of the boost operator we can model the interaction between a weakly interacting particle(WIMP) of dark matter(DAMA) and an atomic nuclei. Via this “kick” we calculate the total electronic excitation cross section of the helium atom. The bound spectrum of He is calculated through a diagonalization process with a configuration interaction (CI) wavefunction built up from Slater orbit...
Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jastrow wave functions are the most commonly used variational ansatz in electronic structure, more sophisticated wave functions are critical to ascertaining new physics. One such wave function is the multi-Slater-Jastrow...
In this Review we show several mathematical techniques that can be used in molecular calculations using Slater orbitals, like the transformation of the Hamiltonian, derivatives of spherical harmonics with respect to the angles, and angular transformations. We treat several kinds of integrals in detail: the exchange, Coulomb and hybrid repulsion and exchange correlated integrals, and the three-c...
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