LIBINT
2.6.0
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Represents quantum numbers of real spherical multipole operator defined in Eqs. More...
#include <multipole.h>
Public Types | |
enum | Sign { plus, minus } |
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typedef KeyTraits< LIBINT2_UINT_LEAST64 >::ReturnType | KeyReturnType |
Public Member Functions | |
SphericalMultipoleQuanta () | |
constructs an object in default (unusable) state | |
SphericalMultipoleQuanta (int l, int m) | |
constructs ![]() ![]() ![]() | |
SphericalMultipoleQuanta (int l, int m, Sign sign) | |
constructs ![]() | |
int | l () const |
int | m () const |
Sign | sign () const |
bool | valid () const |
int | phase () const |
bool | is_precomputed () const |
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int | value () const |
LIBINT2_UINT_LEAST64 | key () const |
Implements Hashable<unsigned>::key() | |
Static Public Attributes | |
const static constexpr unsigned | max_qn = LIBINT_CARTGAUSS_MAX_AM |
static const unsigned | max_key = (1 + max_qn) * (1 + max_qn) |
Additional Inherited Members | |
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KeyStore< LIBINT2_UINT_LEAST64, OwnKey< KeyMP >::result > | key_ |
Represents quantum numbers of real spherical multipole operator defined in Eqs.
5 and 6 of J.M. Pérez-Jordá and W. Yang, J Chem Phys 104, 8003 (1996). corresponds to moments
,
corresponds to
. To obtain the real solid harmonics $C^m_l$ and $S^m_l$ defined in https://en.wikipedia.org/wiki/Solid_harmonics multiply these harmonics by
.