A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF)

Autor: Smallwood, C J, Mejia, C N, Glover, W J, Larsen, R E, Schwartz, Benjamin J

Publikováno v: Smallwood, C J; Mejia, C N; Glover, W J; Larsen, R E; & Schwartz, Benjamin J. (2006). A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF). Journal of Chemical Physics, 125(7). UCLA: Retrieved from: http://www.escholarship.org/uc/item/0qd7j810

In the preceding paper, we presented an analytic reformulation of the Phillips-Kleinman (PK) pseudopotential theory. In the PK theory, the number of explicitly treated electronic degrees of freedom in a multielectron problem is reduced by forcing the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::30083c1db82ff48d325a6da95b945fc7
http://www.escholarship.org/uc/item/0qd7j810

The role of electronic symmetry in charge-transfer-to-solvent reactions: Quantum nonadiabatic computer simulation of photoexcited sodium anions

Autor: Smallwood, C J, Bosma, W B, Larsen, R E, Schwartz, Benjamin J

Publikováno v: Smallwood, C J; Bosma, W B; Larsen, R E; & Schwartz, Benjamin J. (2003). The role of electronic symmetry in charge-transfer-to-solvent reactions: Quantum nonadiabatic computer simulation of photoexcited sodium anions. Journal of Chemical Physics, 119(21), 11263-11277. UCLA: Retrieved from: http://www.escholarship.org/uc/item/8h67q78g

Since charge-transfer-to-solvent (CTTS) reactions represent the simplest class of solvent-driven electron transfer reactions, there has been considerable interest in understanding the solvent motions responsible for electron ejection. The major quest

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______325::3d994b04a04e31be5cb380e1b728b10c
http://www.escholarship.org/uc/item/8h67q78g

Pneumomediastinum and subcutaneous emphysema after perforation of the duodenum during gastroscopy

Autor: Allan, R N, Smallwood, C J

Publikováno v: British Journal of Surgery; February 1973, Vol. 60 Issue: 2 p156-157, 2p

Linitis plastica of the colon.

Autor: Phalke IM, Smallwood CJ, Wright FW

Publikováno v: Clinical radiology [Clin Radiol] 1969 Apr; Vol. 20 (2), pp. 224-7.