Slater_Koster Class Reference

Static Public Member Functions
static double	s_s (double L, double M, double N, double t_ss)
static double	s_px (double L, double M, double N, double t_sp)
static double	s_py (double L, double M, double N, double t_sp)
static double	s_pz (double L, double M, double N, double t_sp)
static double	px_s (double L, double M, double N, double t_ps)
static double	py_s (double L, double M, double N, double t_ps)
static double	pz_s (double L, double M, double N, double t_ps)
static double	px_px (double L, double M, double N, double sigma, double pi)
static double	py_py (double L, double M, double N, double sigma, double pi)
static double	pz_pz (double L, double M, double N, double sigma, double pi)
static double	px_py (double L, double M, double N, double sigma, double pi)
static double	py_px (double L, double M, double N, double sigma, double pi)
static double	px_pz (double L, double M, double N, double sigma, double pi)
static double	pz_px (double L, double M, double N, double sigma, double pi)
static double	py_pz (double L, double M, double N, double sigma, double pi)
static double	pz_py (double L, double M, double N, double sigma, double pi)
static double	sstar_sstar (double L, double M, double N, double sigma)
static double	s_sstar (double L, double M, double N, double sigma)
static double	sstar_s (double L, double M, double N, double sigma)
static double	sstar_px (double L, double M, double N, double sigma)
static double	sstar_py (double L, double M, double N, double sigma)
static double	sstar_pz (double L, double M, double N, double sigma)
static double	px_sstar (double L, double M, double N, double sigma)
static double	py_sstar (double L, double M, double N, double sigma)
static double	pz_sstar (double L, double M, double N, double sigma)
static double	s_dxy (double L, double M, double N, double sigma)
static double	dxy_s (double L, double M, double N, double sigma)
static double	s_dyz (double L, double M, double N, double sigma)
static double	dyz_s (double L, double M, double N, double sigma)
static double	s_dxz (double L, double M, double N, double sigma)
static double	dxz_s (double L, double M, double N, double sigma)
static double	s_dx2y2 (double L, double M, double N, double sigma)
static double	dx2y2_s (double L, double M, double N, double sigma)
static double	s_dz2 (double L, double M, double N, double sigma)
static double	dz2_s (double L, double M, double N, double sigma)
static double	sstar_dxy (double L, double M, double N, double sigma)
static double	dxy_sstar (double L, double M, double N, double sigma)
static double	sstar_dyz (double L, double M, double N, double sigma)
static double	dyz_sstar (double L, double M, double N, double sigma)
static double	sstar_dxz (double L, double M, double N, double sigma)
static double	dxz_sstar (double L, double M, double N, double sigma)
static double	sstar_dx2y2 (double L, double M, double N, double sigma)
static double	dx2y2_sstar (double L, double M, double N, double sigma)
static double	sstar_dz2 (double L, double M, double N, double sigma)
static double	dz2_sstar (double L, double M, double N, double sigma)
static double	px_dxy (double L, double M, double N, double sigma, double pi)
static double	dxy_px (double L, double M, double N, double sigma, double pi)
static double	px_dyz (double L, double M, double N, double sigma, double pi)
static double	dyz_px (double L, double M, double N, double sigma, double pi)
static double	px_dxz (double L, double M, double N, double sigma, double pi)
static double	dxz_px (double L, double M, double N, double sigma, double pi)
static double	px_dx2y2 (double L, double M, double N, double sigma, double pi)
static double	dx2y2_px (double L, double M, double N, double sigma, double pi)
static double	px_dz2 (double L, double M, double N, double sigma, double pi)
static double	dz2_px (double L, double M, double N, double sigma, double pi)
static double	py_dxy (double L, double M, double N, double sigma, double pi)
static double	dxy_py (double L, double M, double N, double sigma, double pi)
static double	py_dyz (double L, double M, double N, double sigma, double pi)
static double	dyz_py (double L, double M, double N, double sigma, double pi)
static double	py_dxz (double L, double M, double N, double sigma, double pi)
static double	dxz_py (double L, double M, double N, double sigma, double pi)
static double	py_dx2y2 (double L, double M, double N, double sigma, double pi)
static double	dx2y2_py (double L, double M, double N, double sigma, double pi)
static double	py_dz2 (double L, double M, double N, double sigma, double pi)
static double	dz2_py (double L, double M, double N, double sigma, double pi)
static double	pz_dxy (double L, double M, double N, double sigma, double pi)
static double	dxy_pz (double L, double M, double N, double sigma, double pi)
static double	pz_dyz (double L, double M, double N, double sigma, double pi)
static double	dyz_pz (double L, double M, double N, double sigma, double pi)
static double	pz_dxz (double L, double M, double N, double sigma, double pi)
static double	dxz_pz (double L, double M, double N, double sigma, double pi)
static double	pz_dx2y2 (double L, double M, double N, double sigma, double pi)
static double	dx2y2_pz (double L, double M, double N, double sigma, double pi)
static double	pz_dz2 (double L, double M, double N, double sigma, double pi)
static double	dz2_pz (double L, double M, double N, double sigma, double pi)
static double	dxy_dxy (double L, double M, double N, double sigma, double pi, double delta)
static double	dyz_dyz (double L, double M, double N, double sigma, double pi, double delta)
static double	dxz_dxz (double L, double M, double N, double sigma, double pi, double delta)
static double	dx2y2_dx2y2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dz2_dz2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dxy_dyz (double L, double M, double N, double sigma, double pi, double delta)
static double	dyz_dxy (double L, double M, double N, double sigma, double pi, double delta)
static double	dxy_dz2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dz2_dxy (double L, double M, double N, double sigma, double pi, double delta)
static double	dxy_dxz (double L, double M, double N, double sigma, double pi, double delta)
static double	dxz_dxy (double L, double M, double N, double sigma, double pi, double delta)
static double	dxy_dx2y2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dx2y2_dxy (double L, double M, double N, double sigma, double pi, double delta)
static double	dyz_dz2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dz2_dyz (double L, double M, double N, double sigma, double pi, double delta)
static double	dyz_dxz (double L, double M, double N, double sigma, double pi, double delta)
static double	dxz_dyz (double L, double M, double N, double sigma, double pi, double delta)
static double	dyz_dx2y2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dx2y2_dyz (double L, double M, double N, double sigma, double pi, double delta)
static double	dz2_dxz (double L, double M, double N, double sigma, double pi, double delta)
static double	dxz_dz2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dz2_dx2y2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dx2y2_dz2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dxz_dx2y2 (double L, double M, double N, double sigma, double pi, double delta)
static double	dx2y2_dxz (double L, double M, double N, double sigma, double pi, double delta)

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The documentation for this class was generated from the following file:

• /home/moritz/QNANO_PRODUCTION/qnano_new/include/orbitals/Slater_Koster.h