From ea757ad62da20515f06ee3b05e00befa2aa48a0d Mon Sep 17 00:00:00 2001 From: Karthik Chandrashekara Date: Thu, 22 Dec 2022 12:57:52 +0100 Subject: [PATCH] Script to produce publication ready figure of Dy energy level structure with transitions (based on NIST data). --- DyLevelStructure/DyLevels.txt | 740 ++++++++++++++++++ DyLevelStructure/result.pdf | Bin 0 -> 18367 bytes ...isualizeDyLevelStructureWithTransitions.py | 151 ++++ 3 files changed, 891 insertions(+) create mode 100644 DyLevelStructure/DyLevels.txt create mode 100644 DyLevelStructure/result.pdf create mode 100644 DyLevelStructure/visualizeDyLevelStructureWithTransitions.py diff --git a/DyLevelStructure/DyLevels.txt b/DyLevelStructure/DyLevels.txt new file mode 100644 index 0000000..65d1d77 --- /dev/null +++ b/DyLevelStructure/DyLevels.txt @@ -0,0 +1,740 @@ +Term J Prefix Level (cm-1) Suffix +"5I" "8" "" "0.000" "" +"5I" "7" "" "4134.222" "" +"5I" "6" "" "7050.603" "" +"5I" "5" "" "9211.591" "" +"5I" "4" "" "10925.277" "" +"7H*" "2" "" "" "" +"7H*" "8" "" "7565.610" "" +"7H*" "7" "" "8519.210" "" +"7H*" "6" "" "10088.802" "" +"7H*" "5" "" "12298.551" "" +"7H*" "4" "" "13952.001" "" +"7H*" "3" "" "15254.936" "" +"7I*" "3" "" "" "" +"7I*" "4" "" "" "" +"7I*" "9" "" "9990.974" "" +"7I*" "8" "" "12007.121" "" +"7I*" "7" "" "14367.806" "" +"7I*" "6" "" "14970.701" "" +"7I*" "5" "" "16684.731" "" +"7F*" "6" "" "11673.49" "" +"7G*" "7" "" "12655.13" "" +"7K*" "4" "" "" "" +"7K*" "5" "" "" "" +"7K*" "10" "" "12892.76" "" +"7K*" "8" "" "16288.73" "" +"7K*" "9" "" "16717.79" "" +"7K*" "7" "" "17687.90" "" +"7K*" "6" "" "19182.66" "" +"5K*" "9" "" "13495.932" "" +"5K*" "8" "" "19688.595" "" +"5K*" "7" "" "21783.407" "" +"5K*" "6" "" "23464.019" "" +"5K*" "5" "" "24881.867" "" +"7F*" "5" "" "14153.49" "" +"5I*" "8" "" "14625.64" "" +"5I*" "7" "" "18339.80" "o" +"5I*" "6" "" "20554.73" "" +"5I*" "5" "" "22294.88" "" +"5I*" "4" "" "23686.81" "" +"5H*" "7" "" "15194.83" "" +"(8,0)*" "8" "" "15567.38" "" +"*" "6" "" "15862.64" "" +"(8,1)*" "9" "" "15972.35" "" +"(8,1)*" "7" "" "16693.87" "" +"(8,1)*" "8" "" "16733.20" "" +"7P*" "4" "" "16069.98" "" +"*" "4" "" "16412.80" "" +"*" "6" "" "16591.38" "" +"*" "5" "" "17502.89" "" +"(8,2)*" "10" "" "17513.33" "" +"(8,2)*" "9" "" "17727.15" "" +"(8,2)*" "8" "" "18021.89" "" +"(8,2)*" "7" "" "18433.76" "o" +"(8,2)*" "6" "" "18711.93" "" +"3[8]" "9" "" "17514.50" "" +"3[8]" "8" "" "18903.21" "" +"3[8]" "7" "" "21074.20" "o" +"3[7]" "8" "" "17613.36" "" +"3[7]" "7" "" "18937.78" "" +"3[7]" "6" "" "21159.79" "" +"5F*" "5" "" "17804.24" "" +"3[6]" "5" "" "" "" +"3[6]" "6" "" "" "" +"3[6]" "7" "" "18094.52" "" +"*" "6" "" "18172.87" "" +"3[9]" "10" "" "18462.65" "" +"3[9]" "9" "" "19240.82" "" +"3[9]" "8" "" "20193.60" "" +"9G*" "8" "" "18472.71" "" +"*" "7" "" "18528.55" "" +"*" "6" "" "18561.20" "" +"*" "7" "" "18857.04" "" +"3K2" "8" "" "19019.15" "" +"7H*" "8" "" "19092.30" "" +"*" "6" "" "19304.26" "" +"3[10]" "11" "" "19348.72" "" +"3[10]" "10" "" "19797.96" "" +"3[10]" "9" "" "20209.00" "" +"*" "5" "" "19480.87" "" +"*" "9" "" "19557.83" "" +"*" "10" "" "19797.96" "" +"*" "5" "" "19813.98" "" +"*" "6" "" "19856.88" "" +"(7,0)*" "7" "" "19907.51" "" +"(7,1)*" "8" "" "20341.32" "" +"(7,1)*" "7" "" "20766.29" "" +"(7,1)*" "6" "" "20817.61" "" +"*" "4" "" "20430.11" "" +"9K*" "11" "" "20448.44" "" +"*" "4" "" "20474.99" "" +"7G*" "7" "" "20485.40" "" +"(15/2,1/2)" "7" "" "20614.32" "o" +"(15/2,1/2)" "8" "" "20789.85" "" +"*" "8" "" "20884.87" "" +"*" "5" "" "20891.64" "" +"*" "5" "" "20921.55" "" +"*" "7" "" "20954.18" "" +"*" "6" "" "21392.40" "" +"*" "9" "" "21540.68" "" +"3[7]" "8" "" "21603.04" "" +"5H*" "7" "" "21675.28" "" +"5H*" "6" "" "24040.59" "" +"5H*" "4" "" "26440.41" "" +"5H*" "3" "" "27601.33" "" +"3[6]" "7" "" "21778.43" "" +"*" "10" "" "21788.93" "" +"(7,2)*" "9" "" "21838.55" "" +"(7,2)*" "8" "" "21899.22" "" +"(7,2)*" "7" "" "22061.29" "" +"(7,2)*" "6" "" "22286.87" "" +"(7,2)*" "5" "" "22524.21" "" +"1[9]" "9" "" "22045.79" "" +"*" "4" "" "22099.06" "" +"1[10]" "10" "" "22487.14" "" +"9L*" "8" "" "" "" +"9L*" "6" "" "" "" +"9L*" "12" "" "22541.18" "" +"9L*" "11" "" "23677.38" "" +"9L*" "10" "" "24858.74" "" +"9L*" "9" "" "25955.10" "" +"9L*" "7" "" "27556.34" "" +"5G*" "6" "" "22633.23" "" +"*" "7" "" "22647.94" "" +"*" "4" "" "22696.82" "" +"*" "8" "" "22767.83" "" +"*" "4" "" "22938.03" "" +"(6,0)*" "6" "" "22956.84" "" +"(8,0)?" 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z?Ki8+faHJID+C(%TRkjz_1Ct=B7QFedbL(ANF3_-cLs$atQ{{Bg@>Gt)%>Bsg8N$; z^usP|>wy=2Z5aj$42L!K#1RmJzTAg9+1$>NNT&SIjw;F88Q4#Yn}&|FGqiL<>!p~k foevQ#JkVm~=59`Qrz}NCaU@c0msSNvnD6zAU literal 0 HcmV?d00001 diff --git a/DyLevelStructure/visualizeDyLevelStructureWithTransitions.py b/DyLevelStructure/visualizeDyLevelStructureWithTransitions.py new file mode 100644 index 0000000..fb0b240 --- /dev/null +++ b/DyLevelStructure/visualizeDyLevelStructureWithTransitions.py @@ -0,0 +1,151 @@ +import os, csv +from pathlib import Path +import numpy as np +import pandas as pd +import seaborn as sns +import matplotlib.pyplot as plt + +sns.set_theme(style="white") + +def parse_NIST_data(path, min_J, max_J, max_wavenumber): + + data_list = [] + with open(path) as f: + reader = csv.reader(f, delimiter="\t") + data_list = list(reader) + + #collect data + Parity = np.zeros(len(data_list)) + J = np.zeros(len(data_list)) + wavenumber = np.zeros(len(data_list)) + for i in range(1, len(data_list)): + try: + tmp = data_list[:][i] + if not tmp[0] == '' and tmp[0].find('*') != -1: + Parity[i] = 1 + elif not tmp[0] == '': + Parity[i] = 0 + J[i] = int(tmp[1]) + wavenumber[i] = float(tmp[3]) + if wavenumber[i] > max_wavenumber: + J[i] = np.nan + wavenumber[i] = np.nan + except ValueError: + J[i] = np.nan + wavenumber[i] = np.nan + + remove_idxs = [] + for i in range(1, len(data_list)): + p = Parity[i] + j = J[i] + wn = wavenumber[i] + if np.isnan(p) or np.isnan(j) or np.isnan(wn): + remove_idxs.append(i) + + Parity = np.delete(Parity, remove_idxs) + J = np.delete(J, remove_idxs) + wavenumber = np.delete(wavenumber, remove_idxs) + + #sort data + sorting_indices = np.argsort(J) + Parity = Parity[sorting_indices] + J = J[sorting_indices] + wavenumber = wavenumber[sorting_indices] + + # splice data to within user-defined range + splice_idx_start = np.where(J==min_J)[0][0] + splice_idx_stop = len(J) - 1 - np.where(J[::-1]==max_J)[0][0] + + Parity = Parity[splice_idx_start:splice_idx_stop] + J = J[splice_idx_start:splice_idx_stop] + wavenumber = wavenumber[splice_idx_start:splice_idx_stop] + + # Create a Pandas data frame with the data + dataset = pd.DataFrame(np.array(list(zip(Parity, J, wavenumber))), columns=['Parity', 'J', 'Wavenumber']) + + return dataset + +def plot_level_structure_with_red_and_blue_transitions(*args, **kwargs): + + #start plotting + f, ax = plt.subplots(figsize=(4, 8)) + named_colors = ['r', 'm'] + Red_Blue_colors = ['#ab162a', '#cf5246', '#eb9172', '#fac8af', '#faeae1', '#e6eff4', '#bbdaea', '#7bb6d6', '#3c8abe', '#1e61a5'] + + #draw levels + plot_handle = sns.scatterplot(x='J', y='Wavenumber', data = dataframe, s=500, hue = 'Parity', palette = sns.color_palette(named_colors), marker = '_', linewidth=1, legend=False) + + #write electronic configuration for GS + ax.text(gs_J + 0.15, gs_wavenumber + 400, '$6s^2$') + #draw guide line for GS + plt.axhline(y=gs_wavenumber, color='m', linestyle='--', linewidth=1, alpha=0.5) + + #write wavelength of red transition + ax.text(red_J - 0.4, red_wavenumber * 0.5, '$626.082 ~ \mathrm{nm}$') + #draw red transition arrow + ax.annotate('', + xy=(red_J, red_wavenumber), + xytext=(gs_J, gs_wavenumber), + arrowprops=dict(color='#db2929', alpha=0.8, width=1.5), + horizontalalignment='right', + verticalalignment='top') + + #write electronic configuration for triplet excited state + ax.text(red_J + 0.18, red_wavenumber + 400, '$6s6p(^3P_1)$') + #draw guide line for triplet excited state + plt.axhline(y=red_wavenumber, color='m', linestyle='--', linewidth=1, alpha=0.5) + + #write wavelength of red transition + ax.text(blue_J - 1.5, blue_wavenumber * 0.55, '$421.291~ \mathrm{nm}$') + #draw blue transition arrow + ax.annotate('', + xy=(blue_J, blue_wavenumber), + xytext=(gs_J, gs_wavenumber), + arrowprops=dict(color='#2630ea', alpha=0.8, width=3.5), + horizontalalignment='right', + verticalalignment='top') + + #write electronic configuration for singlet excited state + ax.text(blue_J + 0.18, blue_wavenumber + 400, '$6s6p(^1P_1)$') + #draw guide line for singlet excited state + plt.axhline(y=blue_wavenumber, color='m', linestyle='--', linewidth=1, alpha=0.5) + + #figure options + plt.xlabel('$J$', fontsize=16) + plt.ylabel('$\\tilde{v}~(cm^{-1})$', fontsize=16) + #plt.title('Dysprosium I Energy Level Structure', fontsize=20) + plot_handle.set_xticks(range(min_J-1, max_J+2)) + plt.tick_params(axis='both', which='major', labelsize=12) + ax.get_xticklabels()[0].set_visible(False) + ax.get_xticklabels()[-1].set_visible(False) + #plt.show() + + f.savefig(Path(home_path + os.sep + 'result.pdf'), format='pdf', bbox_inches = "tight") + +if __name__ == '__main__': + + min_J = 8 + max_J = 9 + max_wavenumber = 25500.0 + + #Ground State: [Xe]4f^{10} 6s^2(^5I_8) + gs_J = 8 + gs_wavenumber = 0.0 + + #626 nm transition GS ---> [Xe]4f^{10}(^5I_8) 6s6p(^3P_1)(8,1)_9 + red_J = 9 + red_wavenumber = 15972.35 + + #421 nm transition GS ---> [Xe]4f^{10}(^5I_8) 6s6p(^1P_1)(8,1)_9 + blue_J = 9 + blue_wavenumber = 23736.610 + + NIST_Dy_level_data_filename= 'Dylevels.txt' + home_path = str(Path(__file__).parent.resolve()) + + dataframe = parse_NIST_data(home_path + os.sep + NIST_Dy_level_data_filename, min_J, max_J, max_wavenumber) + plot_level_structure_with_red_and_blue_transitions(dataframe, gs_J, gs_wavenumber, red_J, red_wavenumber, blue_J, blue_wavenumber, home_path) + + + + \ No newline at end of file