STO-n G Basis Sets - STO-2G Basis Set

STO-2G Basis Set

The STO-2G basis set is a linear combination of 2 primitive Gaussian functions. The original coefficients and exponents for first-row and second-row atoms are given as follows.

STO-2G α1 c1 α2 c2
1s 0.151623 0.678914 0.851819 0.430129
2s 0.0974545 0.963782 0.384244 0.0494718
2p 0.0974545 0.61282 0.384244 0.511541

Read more about this topic:  STO-n G Basis Sets

Famous quotes containing the words basis and/or set:

    “The primacy of the word, basis of the human psyche, that has in our age been used for mind-bending persuasion and brain-washing pulp, disgraced by Goebbels and debased by advertising copy, remains a force for freedom that flies out between all bars.”
    —Nadine Gordimer (b. 1923)

    “I let my neighbor know beyond the hill;
    And on a day we meet to walk the line
    And set the wall between us once again.
    We keep the wall between us as we go.”
    —Robert Frost (1874–1963)