Spin transition functions (STF), \(\xi_L^{(k)}(i,j)\)¶

Single nucleus spin transition functions¶

The single spin transition functions for \(\left|m_i\right> \rightarrow \left|m_f\right>\) transition, where \(m_j\) is the spin quantum number, and the subscripts \(i\) and \(f\) refer to the initial and final energy states.

static inline double STF_p(const double mf, const double mi)¶

Single nucleus spin transition function from the irreducible spherical tensor of rank \(L=1\) is given as.

\[\begin{split} \mathbb{p}(m_f, m_i) &= \left< m_f | \hat{T}_{10} | m_f \right> - \left< m_i | \hat{T}_{10} | m_i \right> \\ &= m_f - m_i, \end{split}\]

where \(\hat{T}_{10}\) is the irreducible 1st-rank spherical tensor operator in the rotating tilted frame.

Parameters:

mi – The quantum number associated with the quantized initial energy level.
mf – The quantum number associated with the quantized final energy level.

Returns:

The spin transition function \(\mathbb{p}\).

static inline double STF_d(const double mf, const double mi)¶

Single nucleus spin transition function from the irreducible spherical tensor of rank \(L=2\) is given as

\[\begin{split} \mathbb{d}(m_f, m_i) &= \left< m_f | \hat{T}_{20} | m_f \right> - \left< m_i | \hat{T}_{20} | m_i \right> \\ &= \sqrt{\frac{3}{2}} \left(m_f^2 - m_i^2 \right), \end{split}\]

where \(\hat{T}_{20}\) is the irreducible 2nd-rank spherical tensor operator in the rotating tilted frame.

Parameters:

mi – The quantum number associated with the quantized initial energy level.
mf – The quantum number associated with the quantized final energy level.

Returns:

The spin transition function \(\mathbb{d}\).

static inline double STF_f(const double mf, const double mi, const double spin)¶

Single nucleus spin transition function from the irreducible spherical tensor of rank \(L=3\) is given as

\[\begin{split} \mathbb{f}(m_f, m_i) &= \left< m_f | \hat{T}_{30} | m_f \right> - \left< m_i | \hat{T}_{30} | m_i \right> \\ &= \frac{1}{\sqrt{10}} [5(m_f^3 - m_i^3) + (1 - 3I(I+1))(m_f-m_i)], \end{split}\]

where \(\hat{T}_{30}\) is the irreducible 3rd-rank spherical tensor operator in the rotating tilted frame.

Parameters:

mi – The quantum number associated with the quantized initial energy level.
mf – The quantum number associated with the quantized final energy level.
spin – The spin quantum angular momentum number.

Returns:

The spin transition function \(\mathbb{f}\).

Composite single nucleus spin transition functions¶

The composite single spin transition functions are linear combinations of the single spin transition functions.

Warning

doxygenfunction: Unable to resolve function “STF_cL” with arguments “None”. Candidate function could not be parsed. Parsing error is Error when parsing function declaration. If the function has no return type: Error in declarator or parameters-and-qualifiers Invalid C++ declaration: Expected identifier in nested name, got keyword: void [error at 4] void STF_cL (double *restrict cl_value, const double mf, const double mi, const double spin) —-^ If the function has a return type: Error in declarator or parameters-and-qualifiers If pointer to member declarator: Invalid C++ declaration: Expected ‘::’ in pointer to member (function). [error at 12] void STF_cL (double *restrict cl_value, const double mf, const double mi, const double spin) ————^ If declarator-id: Invalid C++ declaration: Expecting “,” or “)” in parameters-and-qualifiers, got “c”. [error at 30] void STF_cL (double *restrict cl_value, const double mf, const double mi, const double spin) ——————————^

Two weakly coupled nuclei spin transition functions¶

The weakly coupled spin transition function for \(\left|m_{i_I}, m_{i_S}\right> \rightarrow \left|m_{f_I}, m_{f_S}\right>\) transition. Here, the subscript \(I\) and \(S\) denotes the two weakly coupled spins.

static inline double STF_dIS(const double mIf, const double mIi, const double mSf, const double mSi)¶

The \(\mathbb{d}_{IS}\) spin transition symmetry function.

Two weakly coupled nuclei spin transition function from the irreducible spherical tensors is given as

\[\begin{split} \mathbb{d}_{IS}(m_{f_I}, m_{f_S}, m_{i_I}, m_{i_S}) &= \left<m_{f_I}m_{f_S}|\hat{T}_{10}(I)~\hat{T}_{10}(S)|m_{f_I} m_{f_S}\right> -\left<m_{i_I}m_{i_S}|\hat{T}_{10}(I)~\hat{T}_{10}(S)|m_{i_I} m_{i_S}\right> \\ &= m_{f_I} m_{f_S} - m_{i_I} m_{i_S}, \end{split}\]

where \(\hat{T}_{10}(I)\) and \(\hat{T}_{10}(S)\) are the irreducible first-rank spherical tensor operators in the rotating tilted frame for spin I and S, respectively.

Parameters:

mIf – The quantum number associated with the quantized final energy state corresponding to spin I.
mSf – The quantum number associated with the quantized final energy state corresponding to spin S.
mIi – The quantum number associated with the quantized initial energy state corresponding to spin I.
mSi – The quantum number associated with the quantized initial energy state corresponding to spin S.

Returns:

The spin transition symmetry function \(\mathbb{d}_{IS}\).