排序方式: 共有26条查询结果,搜索用时 15 毫秒
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Alexopoulos T Allen C Anderson EW Areti H Banerjee S Beery PD Biswas NN Bujak A Carmony DD Carter T Cole P Choi Y De Bonte RJ Erwin AR Findeisen C Goshaw AT Gutay LJ Hirsch AS Hojvat C Kenney VP Lindsey CS LoSecco JM McMahon T McManus AP Morgan N Nelson KS Oh SH Piekarz J Porile NT Reeves D Scharenberg RP Stampke SR Stringfellow BC Thompson MA Turkot F Walker WD Wang CH Wesson DK 《Physical review letters》1990,64(9):991-994
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Lazarus EA Navratil GA Greenfield CM Strait EJ Austin ME Burrell KH Casper TA Baker DR DeBoo JC Doyle EJ Durst R Ferron JR Forest CB Gohil P Groebner RJ Heidbrink WW Hong R Houlberg WA Howald AW Hsieh C Hyatt AW Jackson GL Kim J Lao LL Lasnier CJ Leonard AW Lohr J La Haye RJ Maingi R Miller RL Murakami M Osborne TH Perkins LJ Petty CC Rettig CL Rhodes TL Rice BW Sabbagh SA Schissel DP Scoville JT Snider RT Staebler GM Stallard BW Stambaugh RD St John HE Stockdale RE Taylor PL Thomas DM 《Physical review letters》1996,77(13):2714-2717
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Flores-Moreno R Alvarez-Mendez RJ Vela A Köster AM 《Journal of computational chemistry》2006,27(9):1009-1019
A half-numeric algorithm for the evaluation of effective core potential integrals over Cartesian Gaussian functions is described. Local and semilocal integrals are separated into two-dimensional angular and one-dimensional radial integrals. The angular integrals are evaluated analytically using a general approach that has no limitation for the l-quantum number. The radial integrals are calculated by an adaptive one-dimensional numerical quadrature. For the semilocal radial part a pretabulation scheme is used. This pretabulation simplifies the handling of radial integrals, makes their calculation much faster, and allows their easy reuse for different integrals within a given shell combination. The implementation of this new algorithm is described and its performance is analyzed. 相似文献
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Extensive new high-temperature, high-resolution FTIR emission spectroscopy measurements for the five common isotopomers of GeO are combined with previous diode laser and microwave measurements in combined isotopomer analyses. New Dunham expansion parameters and an accurate analytical potential energy function are determined for the ground X1Sigma+ state. Copyright 1999 Academic Press. 相似文献
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