import numpy as np import pymctdh if __name__ == "__main__": nel = 2 nmodes = 2 nspfs = np.array([[10, 10], [8, 8]], dtype=int) npbfs = [[18, 28], [18, 14]] pbfs = list() mode1 = [['ho', npbfs[0][0], 1.0, 1.0], ['ho', npbfs[0][1], 1.0, 1.0]] mode2 = [['ho', npbfs[1][0], 1.0, 1.0], ['ho', npbfs[1][1], 1.0, 1.0]] pbfs.append(pymctdh.PBasis(mode1, combined=True, sparse=True)) pbfs.append(pymctdh.PBasis(mode2, combined=True, sparse=True)) wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs) wf.generate_ic(1) w10a = 0.09357 w6a = 0.0740 w1 = 0.1273 w9a = 0.1568 delta = 0.46165 lamda = 0.1825 k6a1 = -0.0964 k6a2 = 0.1194 k11 = 0.0470 k12 = 0.2012 k9a1 = 0.1594 k9a2 = 0.0484
import numpy as np import pymctdh if __name__ == "__main__": nel = 2 nmodes = 4 nspfs = np.array([[7, 12, 6, 5], [7, 12, 6, 5]], dtype=int) npbfs = np.array([22, 32, 21, 12], dtype=int) pbfs = list() pbfs.append(pymctdh.PBasis(['ho', 22, 1.0, 1.0])) pbfs.append(pymctdh.PBasis(['ho', 32, 1.0, 1.0])) pbfs.append(pymctdh.PBasis(['ho', 21, 1.0, 1.0], sparse=True)) pbfs.append(pymctdh.PBasis(['ho', 12, 1.0, 1.0], sparse=True)) wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs) wf.generate_ic(1) w10a = 0.09357 w6a = 0.0740 w1 = 0.1273 w9a = 0.1568 delta = 0.46165 lamda = 0.1825 k6a1 = -0.0964 k6a2 = 0.1194 k11 = 0.0470 k12 = 0.2012 k9a1 = 0.1594 k9a2 = 0.0484
import numpy as np import pymctdh if __name__ == "__main__": nel = 2 nmodes = 4 nspfs = np.array([[7, 12, 6, 5], [7, 12, 6, 5]], dtype=int) npbfs = np.array([22, 32, 21, 12], dtype=int) pbfs = list() pbfs.append(pymctdh.PBasis(['ho', 22, 1.0, 1.0])) pbfs.append(pymctdh.PBasis(['ho', 32, 1.0, 1.0])) pbfs.append(pymctdh.PBasis(['ho', 21, 1.0, 1.0])) pbfs.append(pymctdh.PBasis(['ho', 12, 1.0, 1.0])) wf = pymctdh.Wavefunction(nel, nmodes, nspfs, npbfs) wf.generate_ic(1) w10a = 0.09357 w6a = 0.0740 w1 = 0.1273 w9a = 0.1568 delta = 0.46165 lamda = 0.1825 k6a1 = -0.0964 k6a2 = 0.1194 k11 = 0.0470 k12 = 0.2012 k9a1 = 0.1594 k9a2 = 0.0484