mpqc::detail::FundamentalConstants< real_t > Struct Template Referenceabstract
Documentation
template<typename real_t>
struct mpqc::detail::FundamentalConstants< real_t >
Abstract base for a fundamental constants system
- Template Parameters
-
the real type used to report the values
- Note
- The 2018 revision of SI is based on making h, e, k, and N_a exact, DOI:10.1088/1681-7575/aa950a . The current design supports pre and post revised CODATA systems, hence even for post-2018 CODATA this will treat h, e, and N_a as approximate.
Public Member Functions | |
| virtual | ~FundamentalConstants ()=default |
| virtual const char * | description () const =0 |
| real_t | atomic_unit_to_debye () const |
exact in the 2018 and later CODATA systems | |
| virtual real_t | elementary_charge () const =0 |
| virtual real_t | Avogadro_constant () const =0 |
| virtual real_t | Planck_constant () const =0 |
fundamental constants proper | |
| virtual real_t | bohr_radius () const =0 |
| virtual real_t | electron_mass () const =0 |
| virtual real_t | atomic_mass_unit () const =0 |
| virtual real_t | Hartree_to_electron_volt () const =0 |
Static Public Attributes | |
| static constexpr real_t | _atomic_unit_to_debye = 2.541765 |
exact in the CODATA systems (pre- and post-2018 revision) | |
| static constexpr real_t | _electric_constant = 8.854187817e-12 |
| static constexpr real_t | _speed_of_light = 299792458 |
| static constexpr real_t | _thermochemical_calorie = 4.184 |
| real_t | electric_constant () const |
| real_t | speed_of_light () const |
| real_t | thermochemical_calorie () const |
Constructor & Destructor Documentation
◆ ~FundamentalConstants()
template<typename real_t >
|
virtualdefault |
Member Function Documentation
◆ atomic_mass_unit()
template<typename real_t >
|
pure virtual |
- Returns
- the atomic mass unit, a.m.u. (kg)
- Note
- nonfundamental but approved in CODATA
◆ atomic_unit_to_debye()
template<typename real_t >
|
inline |
◆ Avogadro_constant()
template<typename real_t >
|
pure virtual |
- Returns
- the value of Avogadro number ( mol
)
◆ bohr_radius()
template<typename real_t >
|
pure virtual |
- Returns
- the value of Bohr radius (m)
◆ description()
template<typename real_t >
|
pure virtual |
- Returns
- a string describing the particular fundamental constants system
◆ electric_constant()
template<typename real_t >
|
inline |
- Returns
- the value of electric constant (F / m)
- Note
- this constant is exact in the SI system
◆ electron_mass()
template<typename real_t >
|
pure virtual |
- Returns
- the value of electron mass (kg)
◆ elementary_charge()
template<typename real_t >
|
pure virtual |
- Returns
- the value of elementary charge (C)
◆ Hartree_to_electron_volt()
template<typename real_t >
|
pure virtual |
- Returns
- the value of eV / Hartree ratio (unitless)
◆ Planck_constant()
template<typename real_t >
|
pure virtual |
- Returns
- the value of Planck constant ( J s )
◆ speed_of_light()
template<typename real_t >
|
inline |
- Returns
- the value of the speed of light in vacuum (m/s)
- Note
- this constant is exact in the SI system
◆ thermochemical_calorie()
template<typename real_t >
|
inline |
- Returns
- the value of thermochemical calorie (J)
- Note
- this is an exact conversion factor
Member Data Documentation
◆ _atomic_unit_to_debye
template<typename real_t >
|
staticconstexpr |
- Returns
- the atomic unit of dipole moment (Debye)
- Note
- this is fixed at the value used by MPQC2
◆ _electric_constant
template<typename real_t >
|
staticconstexpr |
- Returns
- the value of thermochemical calorie (J)
- Note
- this is an exact conversion factor
◆ _speed_of_light
template<typename real_t >
|
staticconstexpr |
- Returns
- the value of thermochemical calorie (J)
- Note
- this is an exact conversion factor
◆ _thermochemical_calorie
template<typename real_t >
|
staticconstexpr |
- Returns
- the value of thermochemical calorie (J)
- Note
- this is an exact conversion factor
The documentation for this struct was generated from the following file:
- mpqc/chemistry/units/units.h
