Accuracy
The exact energy of the 1s electron of H atom is -0.5 hartree, given by a single Slater-type orbital with exponent 1.0. The following table illustrates the increase in accuracy as the number of primitive Gaussian functions increases from 3 to 6 in the basis set.
| Basis set | Energy |
| STO-3G | -0.49491 |
| STO-4G | -0.49848 |
| STO-5G | -0.49951 |
| STO-6G | -0.49983 |
Read more about this topic: STO-n G Basis Sets
Famous quotes containing the word accuracy:
“The child who has been taught to make an accurate elevation, plan, and section of a pint pot has had an admirable training in accuracy of eye and hand.”
—Thomas Henry Huxley (1825–95)
“My attachment has neither the blindness of the beginning, nor the microscopic accuracy of the close of such liaisons.”
—George Gordon Noel Byron (1788–1824)
“In everything from athletic ability to popularity to looks, brains, and clothes, children rank themselves against others. At this age [7 and 8], children can tell you with amazing accuracy who has the coolest clothes, who tells the biggest lies, who is the best reader, who runs the fastest, and who is the most popular boy in the third grade.”
—Stanley I. Greenspan (20th century)