2020-12-28 01:55:03 +01:00
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(* Thresholds *)
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2018-03-03 22:29:08 +01:00
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2020-12-28 01:55:03 +01:00
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val epsilon : float
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2024-01-17 10:30:24 +01:00
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(** Value below which a float is considered null. Default is \epsilon = 2.10^{-15}. *)
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2020-12-28 01:55:03 +01:00
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2024-01-17 10:30:24 +01:00
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val integrals_cutoff : float
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(** Cutoff value for integrals. Default is \epsilon. *)
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2020-12-27 16:55:53 +01:00
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2024-01-17 10:30:24 +01:00
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(** Mathematical constants *)
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2020-12-27 16:55:53 +01:00
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val pi : float
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2024-01-17 10:30:24 +01:00
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(** $\pi = 3.141~592~653~589~793~12$ *)
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2020-12-27 16:55:53 +01:00
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val two_pi : float
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2024-01-17 10:30:24 +01:00
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(** $2 \pi$ *)
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2020-12-27 16:55:53 +01:00
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val sq_pi : float
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2024-01-17 10:30:24 +01:00
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(** $\sqrt{\pi}$ *)
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2018-02-13 17:36:25 +01:00
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val sq_pi_over_two : float
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2024-01-17 10:30:24 +01:00
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(** $\sqrt{\pi} / 2$ *)
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2020-12-27 16:55:53 +01:00
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val pi_inv : float
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2024-01-17 10:30:24 +01:00
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(** $1 / \pi$ *)
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2018-02-13 17:36:25 +01:00
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val two_over_sq_pi : float
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2024-01-17 10:30:24 +01:00
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(** $2 / \sqrt{\pi}$ *)
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2020-12-27 16:55:53 +01:00
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2024-01-17 10:30:24 +01:00
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(** Physical constants *)
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2020-12-27 16:55:53 +01:00
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val a0 : float
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2024-01-17 10:30:24 +01:00
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(** Bohr's radius : $a_0 = 0.529~177~210~67(23)$ angstrom. *)
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2020-12-27 16:55:53 +01:00
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val a0_inv : float
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2024-01-17 10:30:24 +01:00
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(** $1 / a_0$ *)
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2018-05-30 20:16:18 +02:00
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val ha_to_ev : float
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2024-01-17 10:30:24 +01:00
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(** Hartree to eV conversion factor : $27.211~386~02(17)$ *)
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2018-05-30 20:16:18 +02:00
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val ev_to_ha : float
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2024-01-17 10:30:24 +01:00
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(** eV to Hartree conversion factor : 1 / ~ha_to_ev~ *)
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