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Its performance is compared with that of the original iterative version (ITER\u2010PCM) of the method as well as with a matricial alternative formulation (matrix\u2010BEM\u2010PCM) of the same problem. Both CLS\u2010PCM and matrix\u2010BEM\u2010PCM have shown to be computationally more efficient than ITER\u2010PCM without presenting any problems associated with the convergence of the process. Although for small and medium\u2010size solutes the use of matrix\u2010BEM\u2010PCM is recommended, for neutral solutes of larger size the use of CLS2 becomes computationally more convenient. Finally, for very large\u2010size systems, compromise between matrix storage requirements, time of calculation, and exactness of the results may make preferable the use of the more approximate CLS1 formalism, possibly in conjunction with semiempirical or semiclassical descriptions of the solute. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160103","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:06:43Z","timestamp":1104628003000},"page":"20-30","source":"Crossref","is-referenced-by-count":45,"title":["On the evaluation of the solvent polarization apparent charges in the polarizable continuum model: A new formulation"],"prefix":"10.1002","volume":"16","author":[{"given":"Elena L.","family":"Coiti\u00f1o","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jacopo","family":"Tomasi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Roberto","family":"Cammi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","first-page":"47","volume-title":"Molecular Interactions","author":"Tapia O.","year":"1982"},{"key":"e_1_2_1_2_3","doi-asserted-by":"publisher","DOI":"10.1016\/0166-1280(91)89026-W"},{"key":"e_1_2_1_2_4","unstructured":"(c)C. 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