Re: CCL:geometry optimizations

[Patrick Bultinck <Patrick.Bultinck { *at * } rug.ac.be>]

 On Mon, 18 Jul 1994, Jonathan Stevens wrote:
 >
 >
 > hello,
 >
 >    i am interested to know if there is a good text, or review article,
 > explaining and detailing the various techniques of ab initio molecular
 geometry
 > optimizations.
 >                            Thank you in advance,
 >                                          Jonathan E. Stevens
 >
 >
 >
 Have a look at :
 Schlegel, Adv. in Chem. Phys., ab initio methods in quantum chemistry,
 Vol. LXVII, 1987, part I, pp 249-285
 It is a nice article with a lot of literature references, so you can find
 your way through a lot of literature.
 In part II you can find an article by Pulay that will give you some
 interesting things on the analytical derivative methods in Quantum
 Chemistry. Methods that are among those used in optim.
 greetings, Patrick, University of Ghent, Belgium