A MODIFIED GAUSSIAN TYPE ORBITAL OF HYDROGEN GROUND STATE

A medified (Gaussian function, Ne^{-α（r+r₀）2}, as hydrogen 1s orbital is presented in this paper. The calculation results indicated that it is better approximate wave function for 1s state of atomic hydrogen. For example, when r₀ equals to 10000.0 a.u. the energy ＜H＞ is -0.4999995 a.u. Especially at the points Dear the nucleus it approaches the accurate solution of the 1s state of atomic hydrogen more effectively than STO-6G. This type of orbitals may be useful basis set for ab initio calculation.