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Johnson, Benny G., Frisch, Michael J. (1993) Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives. Chemical Physics Letters, 216. 133-140 doi:10.1016/0009-2614(93)e1238-c

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Reference TypeJournal (article/letter/editorial)
TitleAnalytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives
JournalChemical Physics Letters
AuthorsJohnson, Benny G.Author
Frisch, Michael J.Author
Year1993 (December)Volume216
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(93)e1238-cSearch in ResearchGate
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Mindat Ref. ID5890384Long-form Identifiermindat:1:5:5890384:5
GUID0
Full ReferenceJohnson, Benny G., Frisch, Michael J. (1993) Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives. Chemical Physics Letters, 216. 133-140 doi:10.1016/0009-2614(93)e1238-c
Plain TextJohnson, Benny G., Frisch, Michael J. (1993) Analytic second derivatives of the gradient-corrected density functional energy. Effect of quadrature weight derivatives. Chemical Physics Letters, 216. 133-140 doi:10.1016/0009-2614(93)e1238-c
In(n.d.) Chemical Physics Letters Vol. 216. Elsevier BV

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Johnson, Benny G., Fisch, Michael J. (1994) An implementation of analytic second derivatives of the gradientā€corrected density functional energy. The Journal of Chemical Physics, 100 (10). 7429-7442 doi:10.1063/1.466887
Burant, John C., Strain, Matthew C., Scuseria, Gustavo E., Frisch, Michael J. (1996) Kohn-Sham analytic energy second derivatives with the Gaussian very fast multipole method (GvFMM). Chemical Physics Letters, 258. 45-52 doi:10.1016/0009-2614(96)00646-x
Gill, Peter M.W, Johnson, Benny G, Pople, John A (1993) A standard grid for density functional calculations. Chemical Physics Letters, 209. 506-512 doi:10.1016/0009-2614(93)80125-9
Frisch, Michael J., Johnson, Benny G., Gill, Peter M.W., Fox, Douglas J., Nobes, Ross H. (1993) An improved criterion for evaluating the efficiency of two-electron integral algorithms. Chemical Physics Letters, 206. 225-228 doi:10.1016/0009-2614(93)85545-y
Gill, Peter M.W., Johnson, Benny G., Pople, John A., Frisch, Michael J. (1992) The performance of the Beckeā€”Leeā€”Yangā€”Parr (Bā€”LYP) density functional theory with various basis sets. Chemical Physics Letters, 197. 499-505 doi:10.1016/0009-2614(92)85807-m
Laasonen, K., Parrinello, M., Car, R., Lee, Changyol, Vanderbilt, David (1993) Structures of small water clusters using gradient-corrected density functional theory. Chemical Physics Letters, 207. 208-213 doi:10.1016/0009-2614(93)87016-v
Jayatilaka, Dylan (1993) Analytic SCF third and fourth derivatives with model potentials. Chemical Physics Letters, 212. 18-26 doi:10.1016/0009-2614(93)87101-8
Raghavachari, Krishnan, Strout, D.L., Odom, G.K., Scuseria, G.E., Pople, J.A., Johnson, B.G., Gill, P.M.W. (1993) Isomers of C20. Dramatic effect of gradient corrections in density functional theory. Chemical Physics Letters, 214. 357-361 doi:10.1016/0009-2614(93)85650-d
Ghosh, Swapan K. (1990) Energy derivatives in density-functional theory. Chemical Physics Letters, 172. 77-82 doi:10.1016/0009-2614(90)87220-l
Johnson, Benny G., FloriƔn, Jan (1995) The prediction of Raman spectra by density functional theory. Preliminary findings. Chemical Physics Letters, 247. 120-125 doi:10.1016/0009-2614(95)01186-9
Amos, R.D. (1986) Calculation of polarizability derivatives using analytic gradient methods. Chemical Physics Letters, 124. 376-381 doi:10.1016/0009-2614(86)85037-0
 
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