Isomers of C20. Dramatic effect of gradient corrections in density functional theory

• Published in: Chemical physics letters Vol. 214; no. 3-4; pp. 357 - 361
• Main Authors: KRISHNAN RAGHAVACHARI, STROUT, D. L, ODOM, G. K, SCUSERIA, G. E, POPLE, J. A, JOHNSON, B. G, GILL, P. M. W
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier Science 05.11.1993
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Exact sciences and technology; Physics; Studies of special atoms, molecules and their ions; clusters; Inorganic compounds; Density functional; Molecular structure; Bond angle; Theoretical study; Fullerenes; Carbon molecules; Isomers; Bond lengths; Atomic clusters