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High-precision calculations for one- and two-valence atomic systems
DiracOperator::jL

Matrix element of tensor operator: J_L(qr)*C^L. More...

#include <jL.hpp>

+ Inheritance diagram for DiracOperator::jL:

Public Member Functions

 jL (const Grid &r_grid, const Grid &q_grid, std::size_t max_l, bool subtract_one=false)
 Contruction takes radial grid, a q grid, and a maximum L. Fills lookup table.
 
 jL (const jL &other)
 Constructing from existing operator: copies JL table - faster. Can copy from a jL of different type (g0,g5 etc)
 
jLoperator= (const jL &)=delete
 
std::size_t L () const
 Current value of L (should = rank)
 
std::size_t max_L () const
 Maximum L value in table.
 
const auto & q_grid () const
 
const auto & r_grid () const
 
virtual void set_L_q (std::size_t L, double q)
 Sets the current L and q values for use. Note: NOT thread safe!
 
DiracSpinor radial_rhs (const int kappa_a, const DiracSpinor &Fb) const override
 radial_int = Fa * radial_rhs(a, Fb) (a needed for angular factor)
 
virtual double radialIntegral (const DiracSpinor &Fa, const DiracSpinor &Fb) const override final
 Radial part of integral R_ab = (Fa|t|Fb).
 
double rme (const DiracSpinor &a, const DiracSpinor &b, std::size_t L, double q) const
 Directly calculate reduced matrix element without needing to call set_L_q - this is thread safe.
 
bool is_zero (const DiracSpinor &a, const DiracSpinor &b, std::size_t L) const
 Checks if specific ME is zero (when not useing set_L_q)
 
virtual double angularF (const int ka, const int kb) const override
 angularF: links radiation integral to RME. RME = <a||h||b> = angularF(a,b) * radial_int(a,b)
 
virtual double angularCff (int, int) const override
 Angular factor for f_a*f_b part of radial integral.
 
virtual double angularCgg (int, int) const override
 Angular factor for g_a*g_b part of radial integral.
 
virtual double angularCfg (int, int) const override
 Angular factor for f_a*g_b part of radial integral.
 
virtual double angularCgf (int, int) const override
 Angular factor for g_a*f_b part of radial integral.
 
virtual std::string name () const override
 Returns "name" of operator (e.g., 'E1')
 
std::string units () const override final
 Returns units of operator (usually au, may be MHz, etc.)
 
- Public Member Functions inherited from DiracOperator::TensorOperator
bool freqDependantQ () const
 
bool isZero (const int ka, int kb) const
 If matrix element <a|h|b> is zero, returns true.
 
bool isZero (const DiracSpinor &Fa, const DiracSpinor &Fb) const
 
bool selectrion_rule (int twoJA, int piA, int twoJB, int piB) const
 
virtual void updateFrequency (const double)
 Update frequency for frequency-dependant operators.
 
void scale (double lambda)
 Permanently re-scales the operator by constant, lambda.
 
const std::vector< double > & getv () const
 Returns a const ref to vector v.
 
double getc () const
 Returns a const ref to constant c.
 
int get_d_order () const
 
bool imaginaryQ () const
 returns true if operator is imaginary (has imag MEs)
 
int rank () const
 Rank k of operator.
 
int parity () const
 returns parity, as integer (+1 or -1)
 
int symm_sign (const DiracSpinor &Fa, const DiracSpinor &Fb) const
 returns relative sign between <a||x||b> and <b||x||a>
 
double rme3js (const int twoja, const int twojb, int two_mb=1, int two_q=0) const
 ME = rme3js * RME.
 
DiracSpinor reduced_rhs (const int ka, const DiracSpinor &Fb) const
 <a||h||b> = Fa * reduced_rhs(a, Fb) (a needed for angular factor)
 
DiracSpinor reduced_lhs (const int ka, const DiracSpinor &Fb) const
 <b||h||a> = Fa * reduced_lhs(a, Fb) (a needed for angular factor)
 
double reducedME (const DiracSpinor &Fa, const DiracSpinor &Fb) const
 The reduced matrix element.
 
double fullME (const DiracSpinor &Fa, const DiracSpinor &Fb, std::optional< int > two_ma=std::nullopt, std::optional< int > two_mb=std::nullopt, std::optional< int > two_q=std::nullopt) const
 Returns "full" matrix element, for optional (ma, mb, q) [taken as int 2*]. If not specified, returns z-component (q=0), with ma=mb=min(ja,jb)
 
double matel_factor (MatrixElementType type, int twoJa, int twoJb) const
 Converts reduced matrix element to different "type" (MatrixElementType)
 
double matel_factor (MatrixElementType type, const DiracSpinor &Fa, const DiracSpinor &Fb) const
 

Protected Attributes

std::size_t m_max_l
 
LinAlg::Matrix< std::vector< double > > m_j_lq_r
 
const Gridm_r_grid
 
const Gridm_q_grid
 
bool m_subtract_one
 
- Protected Attributes inherited from DiracOperator::TensorOperator
int m_rank
 
Parity m_parity
 
int m_diff_order
 
Realness opC
 
bool m_freqDependantQ {false}
 
double m_constant
 
std::vector< double > m_vec
 

Additional Inherited Members

- Protected Member Functions inherited from DiracOperator::TensorOperator
 TensorOperator (int rank_k, Parity pi, double constant=1.0, const std::vector< double > &vec={}, int diff_order=0, Realness RorI=Realness::real, bool freq_dep=false)
 Constructs a tensor operator description.
 

Detailed Description

Matrix element of tensor operator: J_L(qr)*C^L.

Common matrix element for scattering problems. Defined as matrix element of J_L(qr)*C^L. Note: Does NOT include the Sqrt(2L+1) term (or 4pi). JL is spherical bessel function. Uses a look-up table for jL, faster than calculating on-the-fly. Note: different to other operators: rank (rank=L) and q are variable. Must use set_L_q (which sets L and q value) prior to use. Note: this is not thread-safe, so cannot parallelise over L or q.

Constructor & Destructor Documentation

◆ jL() [1/2]

DiracOperator::jL::jL ( const Grid r_grid,
const Grid q_grid,
std::size_t  max_l,
bool  subtract_one = false 
)
inline

Contruction takes radial grid, a q grid, and a maximum L. Fills lookup table.

◆ jL() [2/2]

DiracOperator::jL::jL ( const jL other)
inline

Constructing from existing operator: copies JL table - faster. Can copy from a jL of different type (g0,g5 etc)

Member Function Documentation

◆ L()

std::size_t DiracOperator::jL::L ( ) const
inline

Current value of L (should = rank)

◆ max_L()

std::size_t DiracOperator::jL::max_L ( ) const
inline

Maximum L value in table.

◆ set_L_q()

virtual void DiracOperator::jL::set_L_q ( std::size_t  L,
double  q 
)
inlinevirtual

Sets the current L and q values for use. Note: NOT thread safe!

Reimplemented in DiracOperator::ig5jL, and DiracOperator::ig0g5jL.

◆ radial_rhs()

DiracSpinor DiracOperator::jL::radial_rhs ( const int  kappa_a,
const DiracSpinor Fb 
) const
inlineoverridevirtual

radial_int = Fa * radial_rhs(a, Fb) (a needed for angular factor)

By default, is defined as:

\[ \delta F_{\rm b} = C_{\rm overall}\,v(r) \begin{pmatrix} C_{ff}f_b(r) + C_{fg}g_b(r) \\ C_{gf}f_b(r) + C_{gg}g_b(r) \end{pmatrix} \]

\( C_{f/g} \) are angular coeficients - see TensorOperator::angularCff

See also: TensorOperator::radial_rhs

Reimplemented from DiracOperator::TensorOperator.

◆ radialIntegral()

virtual double DiracOperator::jL::radialIntegral ( const DiracSpinor Fa,
const DiracSpinor Fb 
) const
inlinefinaloverridevirtual

Radial part of integral R_ab = (Fa|t|Fb).

<a||t||b> = angularF(a,b) * radialIntegral(a,b)

The 'radial' integral \(R_{ab}\) for operator \(t\) is defined as

\[ \langle a ||t|| b \rangle \equiv R_{ab} * A_{ab} \]

where \(A_{ab}\) is TensorOperator::angularF()

By default, is implemented as:

\[ R = \int_0^\infty F_a\cdot\delta F_{\rm b} \,{\rm d}r \]

where \( \delta F_{\rm b} \) is defined in TensorOperator::radial_rhs

So, if TensorOperator::radial_rhs is defined normally, we have:

\[ C_{\rm overall}\int_0^\infty v(r)\left( C_{ff}f_a(r)f_b(r) + C_{fg}f_a(r)g_b(r) + C_{gf}g_a(r)f_b(r) + C_{gg}g_a(r)g_b(r) \right)\,{\rm d}r \]

\( C_{f/g} \) are angular coeficients - see TensorOperator::angularCff

Warning
  • This is defined for the "standard" case, which doesn't always suit
  • TensorOperator::radial_rhs may be overridden for special cases
  • If radial_rhs is overridden, then radialIntegral must also be_

Reimplemented from DiracOperator::TensorOperator.

◆ rme()

double DiracOperator::jL::rme ( const DiracSpinor a,
const DiracSpinor b,
std::size_t  L,
double  q 
) const
inline

Directly calculate reduced matrix element without needing to call set_L_q - this is thread safe.

◆ is_zero()

bool DiracOperator::jL::is_zero ( const DiracSpinor a,
const DiracSpinor b,
std::size_t  L 
) const
inline

Checks if specific ME is zero (when not useing set_L_q)

◆ angularF()

virtual double DiracOperator::jL::angularF ( const int  ,
const int   
) const
inlineoverridevirtual

angularF: links radiation integral to RME. RME = <a||h||b> = angularF(a,b) * radial_int(a,b)

Implements DiracOperator::TensorOperator.

Reimplemented in DiracOperator::ig0g5jL, and DiracOperator::ig5jL.

◆ angularCff()

virtual double DiracOperator::jL::angularCff ( int  ,
int   
) const
inlineoverridevirtual

Angular factor for f_a*f_b part of radial integral.

  • Often constant, though sometimes depends on \(\kappa_a,\kappa_b\)

    \[ \int_0^\infty v(r)\left( C_{ff}f_a(r)f_b(r) + C_{fg}f_a(r)g_b(r) + C_{gf}g_a(r)f_b(r) + C_{gg}g_a(r)g_b(r) \right)\,{\rm d}r \]

Reimplemented from DiracOperator::TensorOperator.

Reimplemented in DiracOperator::ig0g5jL, DiracOperator::g0jL, and DiracOperator::ig5jL.

◆ angularCgg()

virtual double DiracOperator::jL::angularCgg ( int  ,
int   
) const
inlineoverridevirtual

Angular factor for g_a*g_b part of radial integral.

Reimplemented from DiracOperator::TensorOperator.

Reimplemented in DiracOperator::ig0g5jL, DiracOperator::g0jL, and DiracOperator::ig5jL.

◆ angularCfg()

virtual double DiracOperator::jL::angularCfg ( int  ,
int   
) const
inlineoverridevirtual

Angular factor for f_a*g_b part of radial integral.

Reimplemented from DiracOperator::TensorOperator.

Reimplemented in DiracOperator::ig0g5jL, DiracOperator::g0jL, and DiracOperator::ig5jL.

◆ angularCgf()

virtual double DiracOperator::jL::angularCgf ( int  ,
int   
) const
inlineoverridevirtual

Angular factor for g_a*f_b part of radial integral.

Reimplemented from DiracOperator::TensorOperator.

Reimplemented in DiracOperator::ig0g5jL, DiracOperator::g0jL, and DiracOperator::ig5jL.

◆ name()

virtual std::string DiracOperator::jL::name ( ) const
inlineoverridevirtual

Returns "name" of operator (e.g., 'E1')

Reimplemented from DiracOperator::TensorOperator.

Reimplemented in DiracOperator::g0jL, DiracOperator::ig5jL, and DiracOperator::ig0g5jL.

◆ units()

std::string DiracOperator::jL::units ( ) const
inlinefinaloverridevirtual

Returns units of operator (usually au, may be MHz, etc.)

Reimplemented from DiracOperator::TensorOperator.


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