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Orbital photography
Author(s) -
Hout Robert F.,
Pietro William J.,
Hehre Warren J.
Publication year - 1983
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540040219
Subject(s) - representation (politics) , atomic orbital , photography , scheme (mathematics) , computer science , molecular orbital , electron , physics , mathematics , molecule , quantum mechanics , mathematical analysis , art , politics , political science , law , visual arts
A scheme is presented that enables photographic representation of the (two‐dimensional) surfaces of (three‐dimensional) molecular orbitals and electron density functions. The algorithm has been implemented by a program which is completely general and computationally efficient.