diff options
Diffstat (limited to '3717/CH9/EX9.3/Ex9_3.sce')
| -rw-r--r-- | 3717/CH9/EX9.3/Ex9_3.sce | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/3717/CH9/EX9.3/Ex9_3.sce b/3717/CH9/EX9.3/Ex9_3.sce new file mode 100644 index 000000000..2730fcabe --- /dev/null +++ b/3717/CH9/EX9.3/Ex9_3.sce @@ -0,0 +1,18 @@ +// Ex9_3 Page:175 (2014)
+clc;clear;
+f0 = 1876.06; // Fundamental frequancy of NO molecule, per cm
+f1 = 3724.2; // First overtone frequency of NO molecule, per cm
+A = [f0 2; f1/2 3]; // Declare the 2 X 2 matrix for multiplication
+I = [1;1]; // Unity column matrix
+X = inv(A)*I; // Eigen value matrix
+nu_e_bar = 1/X(1); // Equilibrium vibrational frequency, per cm
+x_e = X(2); // Anharmonicity constant
+E0 = 1/2*nu_e_bar; // Zero point energy of the molecule, per cm
+printf("\nThe equilibrium vibrational frequency = %7.2f per cm", nu_e_bar);
+printf("\nThe anharmonicity constant = %4.2e", x_e);
+printf("\nThe zero point energy of the molecule = %3d per cm", ceil(E0));
+
+// Result
+// The equilibrium vibrational frequency = 1903.98 per cm
+// The anharmonicity constant = 7.33e-003
+// The zero point energy of the molecule = 952 per cm
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