• PARSEC

  • Referenced in 20 articles [sw22333]
  • Owing to the sparsity of the Hamiltonian matrix, the Kohn-Sham equations are solved...
  • Algorithm 800

  • Referenced in 11 articles [sw04405]
  • Fortran 77 subroutines for reducing a Hamiltonian matrix to square-reduced form using orthogonal symplectic ... plus-minus eigenvalue pairs of the Hamiltonian, which are destroyed by rounding errors using DGEEVX...
  • corr2el

  • Referenced in 3 articles [sw10319]
  • Arnoldi method (IRAM) is employed. The Hamiltonian matrix is never explicitly computed. Instead the action...
  • RELCI

  • Referenced in 3 articles [sw01178]
  • electron-electron interaction in the Hamiltonian matrix and, thus, into the representation of the wave...
  • COEFANG1

  • Referenced in 6 articles [sw10418]
  • needs to evaluate the matrix elements of the Hamiltonian, including the electrostatic interaction, with respect ... basis set of configuration wave functions. These matrix elements may be expressed as weighted sums...
  • PPCG_lrep

  • Referenced in 2 articles [sw29678]
  • associated eigenvectors of a special Hamiltonian matrix and plays an important role for estimating...
  • NanoNET

  • Referenced in 2 articles [sw35709]
  • block-tridiagonal structure of a Hamiltonian matrix and splitting it into series of diagonal...
  • Algorithm 961

  • Referenced in 3 articles [sw26807]
  • skew-Hamiltonian/Hamiltonian eigenproblems. Skew-Hamiltonian/Hamiltonian matrix pencils λ S — H appear in many ... these matrix pencils. Recently developed methods exploit and preserve the skew-Hamiltonian/Hamiltonian structure...
  • Algorithm 923

  • Referenced in 6 articles [sw20231]
  • solved easily once the skew-symmetric matrix has been reduced to skew-symmetric tridiagonal form ... definitions based on the Hamiltonian and the scattering matrix...
  • TBINT

  • Referenced in 1 article [sw11865]
  • matrix elements. Nature of problem: The Hamiltonian matrix is needed in a wide variety ... parts. As starting points, the one-body Hamiltonian may be obtained from experimental data while ... program is to generate the two-body Hamiltonian for a particle- particle interaction comprising central ... Nuclear Physics studies. Solution method: Matrix elements for residual interactions are expressed and evaluated...
  • DMRG++

  • Referenced in 2 articles [sw10217]
  • Hamiltonian symmetry for the DMRG algorithm. In the Density Matrix Renormalization Group (DMRG) algorithm ... Phys. Rev. B 48, 345 (1993)], Hamiltonian symmetries play ... important rôle. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each...
  • FeynDyn

  • Referenced in 1 article [sw16780]
  • calculates the dynamics of the reduced density matrix of an open quantum system modeled either ... user gives the program a Hamiltonian matrix that describes the open quantum system...
  • SPINSGA

  • Referenced in 1 article [sw00901]
  • Solution method: The spin-1/2 Heisenberg matrix of a lattice is solved ... employed. The product HC between the Hamiltonian matrix and the iteration vector is calculated...
  • CASSINI

  • Referenced in 1 article [sw17868]
  • included when setting up the Hamiltonian matrix. The matrix elements are computed by numerical integration...
  • corr3p_tr

  • Referenced in 1 article [sw18216]
  • dynamical system treatment (particle method). The Hamiltonian matrix never needs to be realized. The wavefunction...
  • RMATRX1

  • Referenced in 11 articles [sw17818]
  • Project team [6]. Solution method: The R-matrix method is used ... include Breit-Pauli terms in the Hamiltonian and recouple the matrices to an intermediate-coupling...
  • PEXSI

  • Referenced in 1 article [sw34243]
  • function of the KS Hamiltonian, which yields a density matrix. It can be used...
  • MCKER

  • Referenced in 1 article [sw26808]
  • that analytically evaluates the matrix elements of the microscopic nuclear Hamiltonian between Slater determinants...
  • BREIT_NO

  • Referenced in 1 article [sw10725]
  • computing angular integrals of the Breit-Pauli Hamiltonian with non-orthogonal orbitals. The BREIT ... necessary for expressing the matrix elements of the Breit-Pauli Hamiltonian as a linear combination ... present leading to overlap factors in the matrix elements. The calculations follow the method based...
  • FRODO

  • Referenced in 1 article [sw00159]
  • purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions...