Erratum: analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment
Article first published online: 29 JUL 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 27, pages 2398–2399, 15 October 2013
How to Cite
- Issue published online: 19 SEP 2013
- Article first published online: 29 JUL 2013
- Manuscript Accepted: 9 JUL 2013
- Manuscript Received: 6 JUL 2013
Vol. 34, Issue 20, 1759–1774, Article first published online: 16 MAY 2013
Published in Journal of Computational Chemistry 2013, 34, 1759–1774; DOI: 10.1002/jcc.23312
The authors have notified us of errors in the article. The corrected equations are shown below. We apologize for any inconvenience this may have caused.
There are several misprints in the original article, concerning the antisymmetrized two-electron repulsion integrals in the molecular orbital (MO) basis. Equation (12) should read,
Equation (45) should read,
Equation (47) should read,
Equation (48C) should read,
Equation (49) should read,
The numerical results presented in the original article are not affected, since the implementation followed the correct formulas given above.