• ASYMPT

  • Referenced in 10 articles [sw00053]
  • calculates asymptotics of potential curves and adiabatic potentials with an accuracy ... number. The second-order corrections to the adiabatic curves are obtained as the eigenvalues ... relevant corrections to matrix elements of potential coupling. The asymptotic potentials obtained can be used ... electron syste! ms in the adiabatic and coupled-channel approximations of the HSA approach...
  • MultiModeCode

  • Referenced in 9 articles [sw40978]
  • canonical kinetic terms and arbitrary potentials, providing the adiabatic, isocurvature, and tensor power spectra ... inflation. For models with sum-separable potentials MultiModeCode also computes the slow-roll prediction ... isocurvature perturbations as the system approaches the adiabatic limit, showing how to avoid numerical instabilities...
  • POTHMF

  • Referenced in 7 articles [sw01342]
  • program for computing potential curves and matrix elements of the coupled adiabatic radial equations...
  • KANTBP

  • Referenced in 18 articles [sw00482]
  • approach. Nature of problem: In the hyperspherical adiabatic approach [2-4], a multi-dimensional Schrödinger ... second-order ordinary differential equations which contain potential matrix elements and first-derivative coupling terms...
  • POTHEA

  • Referenced in 2 articles [sw19948]
  • dimensional region. The program calculates also potential matrix elements that are integrals of the products ... framework of a coupled-channel hyperspherical adiabatic approach are presented. As a test desk ... derivatives with respect to a parameter and potential matrix elements used in the benchmark calculations...
  • SHARC

  • Referenced in 1 article [sw30312]
  • dynamics of molecules. SHARC can treat non-adiabatic couplings at conical intersections, intersystem crossing induced ... COLUMBUS, ADF, TURBOMOLE (only ricc2), GAUSSIAN, analytical potentials, and linear-vibronic coupling potentials. comes with...
  • ROKHLENKO

  • Referenced in 1 article [sw27115]
  • condition γ<1/2 one can use the adiabatic approximation for treating the oscillating field ... property of the wave function inside the potential barrier where it is found...
  • ABCRATE

  • Referenced in 2 articles [sw00011]
  • given the internal coordinates, can return the potential energy and its gradient at that geometry ... coefficients include the minimum energy path semiclassical adiabatic ground-state method (MEPSAG, also called...
  • ANSYS

  • Referenced in 713 articles [sw00044]
  • ANSYS offers a comprehensive software suite that spans...
  • Maple

  • Referenced in 5403 articles [sw00545]
  • The result of over 30 years of cutting...
  • Mathematica

  • Referenced in 6445 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Matlab

  • Referenced in 13702 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • REDUCE

  • Referenced in 746 articles [sw00789]
  • REDUCE is an interactive system for general algebraic...
  • MACSYMA

  • Referenced in 721 articles [sw01209]
  • Macsyma is a general purpose symbolic-numerical-graphical...
  • deal.ii

  • Referenced in 650 articles [sw03516]
  • deal.II is a C++ program library targeted at...
  • PETSc

  • Referenced in 1594 articles [sw04012]
  • The Portable, Extensible Toolkit for Scientific Computation (PETSc...
  • Gurobi

  • Referenced in 727 articles [sw04105]
  • GUROBI OPTIMIZER: State of the Art Mathematical Programming...
  • RODAS

  • Referenced in 1757 articles [sw04112]
  • Rosenbrock method of order 4(3), for problems...
  • ABAQUS

  • Referenced in 1616 articles [sw04215]
  • The Abaqus Unified FEA product suite offers powerful...
  • ARPACK

  • Referenced in 848 articles [sw04218]
  • ARPACK is a collection of Fortran77 subroutines designed...