Calculating the ionization energy of a carbon atom

Описание

All calculations were carried out using the B3LYP/6-311++G(d,p) method. The Gaussian software Windows version is used. Courtesy of Melissa Countryman.

Ionization energy of a species A = E(A+) - E(A), where A+ is A losing one electron. Ionization energy is usually positive because it takes energy to separate the electron from the positive A+.