1. The isotropic Fermi contact interaction, (A(r) Fc) between the magnetic moment of a nucleus and the magnetic moment due to the unpaired electron spin is described by the following formula 2 A(T)FC = 3Veynh(10-)a? (r)l? where ye is the gyromagnetic ratio of the electron, yn is the gyromagnetic ratio of the nucleus, h is the Planck's constant, a. is the Bohr radius, and 1972 is the probability density at position r. The position r is specified by the Cartesian coordinates (x, y, z). For every position (x, y, z), there is a corresponding value of 4 () One hundred thousand positions (x, y, z), and the corresponding values of 4 (7)? are stored in a file psi_square.dat and the format is 4F15.10. ye, yn, h, and a. are constants and the values are stored in a file constants.dat in free form. i. ii. iii. Write a complete Fortran program with the following specifications: Read in the values of (x, y, z), 12(7), Ye, yn, h, and a. from the two data files. Suitable action must be performed if any error is encountered when opening or accessing the files. For every (x, y, z), calculate the value of A(r)fc. Store the values of (x, y, z), and the corresponding values of 14 (r)and A(r)FC in a suitable form of storage. Calculate the average values of A(T) Fc. Write all values of (x, y, z) and 1 (0)|2 to a file if the corresponding values of A(r)Fc are larger than or equal to the average value of A(r)FC. iv. V. 1. The isotropic Fermi contact interaction, (A(r) Fc) between the magnetic moment of a nucleus and the magnetic moment due to the unpaired electron spin is described by the following formula 2 A(T)FC = 3Veynh(10-)a? (r)l? where ye is the gyromagnetic ratio of the electron, yn is the gyromagnetic ratio of the nucleus, h is the Planck's constant, a. is the Bohr radius, and 1972 is the probability density at position r. The position r is specified by the Cartesian coordinates (x, y, z). For every position (x, y, z), there is a corresponding value of 4 () One hundred thousand positions (x, y, z), and the corresponding values of 4 (7)? are stored in a file psi_square.dat and the format is 4F15.10. ye, yn, h, and a. are constants and the values are stored in a file constants.dat in free form. i. ii. iii. Write a complete Fortran program with the following specifications: Read in the values of (x, y, z), 12(7), Ye, yn, h, and a. from the two data files. Suitable action must be performed if any error is encountered when opening or accessing the files. For every (x, y, z), calculate the value of A(r)fc. Store the values of (x, y, z), and the corresponding values of 14 (r)and A(r)FC in a suitable form of storage. Calculate the average values of A(T) Fc. Write all values of (x, y, z) and 1 (0)|2 to a file if the corresponding values of A(r)Fc are larger than or equal to the average value of A(r)FC. iv. V
