/* * Author: Andrej Prochazka * Copyright(C) 2017 * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU Affero General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later version. * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU Affero General Public License for more details. * You should have received a copy of the GNU Affero General Public License * along with this program. If not, see . */ #ifndef IONISATION_POTENTIALS_H #define IONISATION_POTENTIALS_H #define IPOT_ZMAX 120 namespace catima{ const double ionisation_potentials_z[IPOT_ZMAX+1] = { 9999999, // 0 19.2, // H 41.8, // He 40.0, 63.7, 76.0, 78.0, // C 82.0, 95.0, 115.0, 137.0, 149.0, 156.0, 166.0, 173.0, 173.0, 180.0, 174.0, 188.0, 190.0, 191.0, //Ca (20) 216.0, 233.0, 245.0, 257.0, 272.0, 286.0, //Fe 26 297.0, 311.0, 322.0, 330.0, 334.0, 350.0, 347.0, 348.0, 343.0, 352.0, 363.0, 366.0, 379.0, 393.0, 417.0, 424.0, 428.0, 441.0, 449.0, 470.0, 470.0, 469.0, 488.0, 488.0, //Sn 50 487.0, 485.0, 491.0, 482.0, // Xe 54 488.0, 491.0, 501.0, 523.0, 535.0, 546.0, 560.0, 574.0, 580.0, 591.0, 614.0, 628.0, 650.0, 658.0, 674.0, 684.0, 694.0, 705.0, 718.0, 727.0, 736.0, 746.0, 757.0, 790.0, 790.0, // Au 79 800.0, 810.0, 823.0, //Pb 82 823.0, 830.0, 825.0, 794.0, 827.0, 826.0, 841.0, 847.0, 878.0, 890.0, // U 92 900.0, 910.0, 920.0, 930.0, 940.0, 950.0, 960.0, 970.0, 980.0, 990.0, 1000.0, 1010.0, 1020.0, 1030.0, 1040.0, 1050.0, 1060.0, 1070.0, 1080.0, 1090.0, 1100.0, 1110.0, 1120.0, 1130.0, 1140.0, 1150.0, 1160.0, 1170.0, }; inline double ipot(int z){ if(z<1 || z>IPOT_ZMAX){ return 0.0; } return ionisation_potentials_z[z]; } } #endif