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1.
1.M. J. Rothman and L. L. Lohr, Chem. Phys. Lett. 70, 405 (1980).
http://dx.doi.org/10.1016/0009-2614(80)85361-9
2.
2.P. Scharfenberg, Chem. Phys. Lett. 79, 115 (1981).
http://dx.doi.org/10.1016/0009-2614(81)85300-6
3.
3.I. H. Williams and G. M. Maggiora, J. Mol. Struct.: THEOCHEM 89, 365 (1982).
http://dx.doi.org/10.1016/0166-1280(82)80095-X
4.
4.W. Quapp, M. Hirsch, O. Imig, and D. Heidrich, J. Comput. Chem. 19, 1087 (1998).
http://dx.doi.org/10.1002/(SICI)1096-987X(19980715)19:9<1087::AID-JCC9>3.0.CO;2-M
5.
5.W. Quapp, M. Hirsch, and D. Heidrich, Theor. Chem. Acc. 100, 285 (1998).
http://dx.doi.org/10.1007/s002140050389
7.
7.M. Hirsch and W. Quapp, J. Comput. Chem. 23, 887 (2002).
http://dx.doi.org/10.1002/jcc.10088
8.
8.J. M. Anglada, E. Besalú, J. M. Bofill, and R. Crehuet, J. Comput. Chem. 22, 387 (2001).
http://dx.doi.org/10.1002/1096-987X(200103)22:4<387::AID-JCC1010>3.0.CO;2-R
9.
9.J. M. Bofill and J. M. Anglada, Theor. Chem. Acc. 105, 463 (2001).
http://dx.doi.org/10.1007/s002140000252
10.
10.R. Crehuet, J. M. Bofill, and J. M. Anglada, Theor. Chem. Acc. 107, 130 (2002).
http://dx.doi.org/10.1007/s00214-001-0306-x
11.
11.W. Quapp, J. Theor. Comput. Chem. 2, 385 (2003).
http://dx.doi.org/10.1142/S0219633603000604
12.
12.W. Quapp, J. Mol. Struct. 695–696, 95 (2004).
http://dx.doi.org/10.1016/j.molstruc.2003.10.034
13.
13.J. Bofill and W. Quapp, J. Chem. Phys. 134, 074101 (2011).
http://dx.doi.org/10.1063/1.3554214
14.
14.D. Mehta, T. Chen, J. W. R. Morgan, and D. J. Wales, J. Chem. Phys. 142, 194113 (2015).
http://dx.doi.org/10.1063/1.4921163
15.
15.F. H. Branin, IBM J. Res. Dev. 16, 504 (1972).
http://dx.doi.org/10.1147/rd.165.0504
16.
16.I. Diener and R. Schaback, J. Optim. Theory Appl. 67, 57 (1990).
http://dx.doi.org/10.1007/BF00939735
17.
17.I. Diener, Globale Aspekte des kontinuierlichen Newtonverfahrens (Habilitation, Göttingen, 1991).
18.
18.I. Diener, in Handbook of Global Optimization, edited byR. Horst and P. Pardalos, Nonconvex Optimization and Its Applications Vol. 2 (Springer, USA, 1995), pp. 649668.
19.
19.W. Quapp, Comput. Math. Appl. 41, 407 (2001).
http://dx.doi.org/10.1016/S0898-1221(00)00283-2
20.
20.J. González, X. Giménez, and J. M. Bofill, J. Chem. Phys. 116, 8713 (2002).
http://dx.doi.org/10.1063/1.1472514
21.
21.M. Hirsch and W. Quapp, J. Math. Chem. 36, 307 (2004).
http://dx.doi.org/10.1023/B:JOMC.0000044520.03226.5f
22.
22.M. Hirsch and W. Quapp, J. Mol. Struct.: THEOCHEM 683, 1 (2004).
http://dx.doi.org/10.1016/j.theochem.2004.06.009
23.
23.M. Hirsch and W. Quapp, Chem. Phys. Lett. 395, 150 (2004).
http://dx.doi.org/10.1016/j.cplett.2004.07.079
24.
24.W. Quapp, M. Hirsch, and D. Heidrich, Theor. Chem. Acc. 112, 40 (2004).
http://dx.doi.org/10.1007/s00214-003-0558-8
25.
25.F. Twilt, G. F. Helminck, M. Snuverink, and L. van den Brug, Optimization 57, 113 (2008).
http://dx.doi.org/10.1080/02331930701778965
26.
26.W. Quapp, Theor. Chem. Acc. 121, 227 (2008).
http://dx.doi.org/10.1007/s00214-008-0468-x
27.
27.J. Bofill, J. Chem. Phys. 130, 176102 (2009).
http://dx.doi.org/10.1063/1.3126266
28.
28.W. Quapp, J. Bofill, and A. Aguilar-Mogas, Theor. Chem. Acc. 129, 803 (2011).
http://dx.doi.org/10.1007/s00214-011-0938-4
29.
29.W. Quapp and B. Schmidt, Theor. Chem. Acc. 128, 47 (2011).
http://dx.doi.org/10.1007/s00214-010-0749-z
30.
30.B. Schmidt and W. Quapp, Theor. Chem. Acc. 132, 1305 (2012).
http://dx.doi.org/10.1007/s00214-012-1305-9
31.
31.M. Hirsch, W. Quapp, and D. Heidrich, Phys. Chem. Chem. Phys. 1, 5291 (1999).
http://dx.doi.org/10.1039/a905926a
32.
32.W. Quapp and V. Melnikov, Phys. Chem. Chem. Phys. 3, 2735 (2001).
http://dx.doi.org/10.1039/b102053f
33.
33.M. Dallos, H. Lischka, E. Ventura do Monte, M. Hirsch, and W. Quapp, J. Comput. Chem. 23, 276 (2002).
http://dx.doi.org/10.1002/jcc.10054
34.
34.W. Quapp and D. Heidrich, J. Mol. Struct.: THEOCHEM 585, 105 (2002).
http://dx.doi.org/10.1016/S0166-1280(02)00037-4
35.
35.R. M. Minyaev, I. V. Getmanskii, and W. Quapp, Russ. J. Phys. Chem. 78, 1494 (2004).
36.
36.Y. Liu, S. K. Burger, and P. W. Ayers, J. Math. Chem. 49, 1915 (2011).
http://dx.doi.org/10.1007/s10910-011-9864-x
37.
37.W. Quapp, J. M. Bofill, and M. Caballero, Chem. Phys. Lett. 541, 122 (2012).
http://dx.doi.org/10.1016/j.cplett.2012.05.052
38.
38.R. M. Minyaev, W. Quapp, B. Schmidt, I. V. Getmanski, and V. V. Koval, Chem. Phys. 425, 170 (2013).
http://dx.doi.org/10.1016/j.chemphys.2013.08.014
39.
39.H. Jongen, P. Jonker, and F. Twilt, Nonlinear Optimization in Finite Dimensions (Kluwer Academic Publishers, Dordrecht, 2000).
40.
40.A. Tachibana and K. Fukui, Theor. Chem. Acc. 51, 189 (1979).
http://dx.doi.org/10.1007/BF00572927
41.
41.P. Mezey, Theor. Chem. Acc. 58, 309 (1981).
http://dx.doi.org/10.1007/BF02426907
42.
42.P. Mezey, Potential Energy Hypersurfaces (Elsevier, Amsterdam, 1987).
43.
43.P. Mezey, Theor. Chem. Acc. 102, 279 (1999).
http://dx.doi.org/10.1007/s002140050499
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/content/aip/journal/jcp/143/24/10.1063/1.4939009
2015-12-30
2016-12-03

Abstract

We show that the Newton homotopy used in the paper [D. Mehta , J. Chem. Phys. , 194113 (2015)] is related to the Newton trajectory method. With the theory of the Newton trajectories at hand, we can sharpen some findings of the paper.

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