在最輕穩定的中性同核雙原子分子——氫氣(H2)之後,鋰是在物理、化學和電子結構理論研究上一種非常重要模型系統的基礎。它是在電子態經驗勢能曲線的準確性和完整性方面最徹底的特例化合物。目前實證分析勢能曲線是由滑鐵盧大學的羅伯特·J·勒羅伊教授和牛津大學的Nikesh S. Dattani教授構建的X-state[4]、a-state[5]、A-state[6]、c-state[7]、B-state[8]、2d-state[9]、和l-state[9]、E-state[10]還有F-state[11]為主,但最可靠的分析勢能曲線則是Morse/Long-range的版本。
^Chemical Bonding, Mark J. Winter, Oxford University Press, 1994, ISBN 0-19-855694-2
^Roald Hoffmann. C2 In All Its Guises. American Scientist. 1995, 83: 309–311.
^ 4.04.14.24.34.44.54.64.74.8Le Roy, Robert J.; N. S. Dattani; J. A. Coxon; A. J. Ross; Patrick Crozet; C. Linton. Accurate analytic potentials for Li2(X) and Li2(A) from 2 to 90 Angstroms, and the radiative lifetime of Li(2p). Journal of Chemical Physics. 25 November 2009, 131 (20): 204309. Bibcode:2009JChPh.131t4309L. doi:10.1063/1.3264688.
^ 8.08.18.28.3Huang, Yiye; R. J. Le Roy. Potential energy Lambda double and Born-Oppenheimer breakdown functions for the B1Piu "barrier" state of Li2. Journal of Chemical Physics. 8 October 2003, 119 (14): 7398–7416. Bibcode:2003JChPh.119.7398H. doi:10.1063/1.1607313.
^Pashov, A; W. Jastzebski; P. Kowalczyk. The Li2 F "shelf" state: Accurate potential energy curve based on the inverted perturbation approach. Journal of Chemical Physics. 22 October 2000, 113 (16): 6624–6628. Bibcode:2000JChPh.113.6624P. doi:10.1063/1.1311297.
Greenwood, N. N.; Earnshaw, A. Chemistry of the Elements 2nd. Oxford:Butterworth-Heinemann. 1997. ISBN 0-7506-3365-4.