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TmoleX (free) download Windows version
WebTURBOMOLE features all standard and state of the art methods, a very fast DFT code for molecules and solids, excited states and spectra using DFT or Coupled Cluster methods. … WebTmoleX: an alternative solver for the basic self-consistent field (SCF) solutions for Hartree-Fock or DFT can be enabled. This new Augmented Roothaan-Hall (ARH) algorithm can be activated as an option if the default settings do not lead to convergence in complex electronic structure cases newton\u0027s third law physics
TmoleX
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