lauvergn/ElVibRot-TnumTana

General quantum dynamics code using curvilinear coordinates and a numerical kinetic energy operator (with Tnum) : (i) Vibrational levels, intensities for floppy molecular system (ii) Wave-packet propagation with or witout time dependant Hamiltonian (iii) Quantum gate and optimal control.

语言：Fortran · GitHub 星标：12 · Fork：3

话题：coordinates-transformations · curvilinear-coordinates · quantum-chemistry · quantum-dynamics · tnum

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