unzhakov
91f716c851
Implemented all planned corrections: - finite-size e/m L0 and U - atomic screening and exchange - radiative (electron only so far) Added plotter and csv_export
72 lines
2.0 KiB
Python
72 lines
2.0 KiB
Python
from pathlib import Path
|
|
import numpy as np
|
|
from beta_spectrum.base import SpectrumComponent
|
|
|
|
|
|
class ExchangeCorrection(SpectrumComponent):
|
|
"""
|
|
Atomic xchange correction using Hayen 2018 Table X coefficients (App. G)
|
|
"""
|
|
|
|
def __init__(self, Z: int, filename=None, eps: float = 1e-6):
|
|
self.Z = Z
|
|
self.eps = eps
|
|
|
|
if filename is None:
|
|
filename = self._default_coeff_path()
|
|
|
|
self.coeffs = self._load_coeffs(filename)
|
|
|
|
def _load_coeffs(self, filename):
|
|
data = np.genfromtxt(filename, delimiter=",", names=True)
|
|
|
|
for row in data:
|
|
if int(row["Z"]) == self.Z:
|
|
return {
|
|
"a": row["a"],
|
|
"b": row["b"],
|
|
"c": row["c"],
|
|
"d": row["d"],
|
|
"e": row["e"],
|
|
"f": row["f"],
|
|
"g": row["g"],
|
|
"h": row["h"],
|
|
"i": row["i"],
|
|
}
|
|
raise ValueError(f"No exchange coefficients available for Z={self.Z}")
|
|
|
|
def _default_coeff_path(self):
|
|
return Path(__file__).resolve().parent.parent / "data" / "exchange_coeff.csv"
|
|
|
|
def __call__(self, W: np.ndarray) -> np.ndarray:
|
|
W = np.asarray(W)
|
|
|
|
# Define physical cutoff
|
|
W_cut = 1.005
|
|
|
|
# Compute full expression ONLY above cutoff
|
|
W_safe = np.maximum(W, W_cut)
|
|
|
|
Wp = W_safe - 1.0
|
|
|
|
a = self.coeffs["a"]
|
|
b = self.coeffs["b"]
|
|
c = self.coeffs["c"]
|
|
d = self.coeffs["d"]
|
|
e = self.coeffs["e"]
|
|
f_coef = self.coeffs["f"]
|
|
g = self.coeffs["g"]
|
|
h = self.coeffs["h"]
|
|
i = self.coeffs["i"]
|
|
|
|
term1 = a / Wp
|
|
term2 = b / (Wp**2)
|
|
term3 = c * np.exp(-d * Wp)
|
|
|
|
base = np.maximum(W_safe - f_coef, self.eps)
|
|
term4 = e * np.sin((base**g + h)) / (W_safe**i)
|
|
|
|
X_safe = 1.0 + term1 + term2 + term3 + term4
|
|
|
|
return X_safe
|