不过水算不准除了这个问题之外还有一部分原因是dispersion error,现有的DFT泛函没法在不加修正的前提下描...
成因:使用了色散校正(empiricaldispersion=GD3,empiricaldispersion=GD3BJ,empiricaldispersion=GD2,以及使用了自带DFT-D的泛函比如wB97xD),且程序中没有相应元素的参数。上文的两个例子分别是在使用DFT-D2和DFT-D3时,分子中有锔原子(IA=XX 即为相应的元素序数)时的报错。例如对 DFT-D3 来说,原文只为 1-94 ...
A total of 72 corrector magnets of 13 cm aperture and 0.5 m length are required in RHIC to correct for field errors in the interaction region quadrupoles a... A Morgillo - 《IEEE Transactions on Applied Superconductivity》 被引量: 29发表: 1996年 Correction to "Radiation and scattering charac...
We propose a simple correction strategy for the original calculation deviations, and apply it to 30 calculation levels screened out through a series of accuracy assessments and obtain the corrected MAD <6 kJ/mol in some cases. We define a normalized time-cost (NTC) to evaluate the time-cost ...
21 Energy decomposition analysis 22 Conceptual DFT (CDFT) analysis 23 ETS-NOCV analysis 24 ...
3 In optical communications, polarization mode dispersion can be fast varying, but it is usually less than 100 ps, which is much shorter than the symbol period of approximately a few nanoseconds. As such, there are two important questions to be answered: How many subcarriers are necessary for...
The role of forward error correction has become of critical importance in fiber optic communications, as backbone networks increase in speed to 40 and 100 Gb/s, particularly as poor optical-signal-to-noise environments are encountered. Such environments become more commonplace in higher-speed environm...
Error termination via Lnk1e in C:\G09W\l301.exe at Sat Mar 17 13:57:31 2018. 成因:使用了色散校正(empiricaldispersion=GD3,empiricaldispersion=GD3BJ,empiricaldispersion=GD2,以及使用了自带DFT-D的泛函比如wB97xD),且程序中没有相应元素的参数。上文的两个例子分别是在使用DFT-D2和DFT-D3时,分子中...
Dispersive Fourier transformation (DFT) maps the broadband spectrum of an optical pulse into a time stretched waveform using chromatic dispersion [1]. Owin... Chao Wang 被引量: 0发表: 2013年 加载更多研究点推荐 measurement device 引用走势 2010 被引量:2 ...
成因:使用 empiricaldispersion=GD3 或 empiricaldispersion=GD3BJ 时程序未存有相应泛函的D3色散校正参数。解决:(1) 确认在D3或D3BJ中选择的正确,例如米尼苏达系列泛函没有D3-BJ参数,不能用empiricaldispersion=GD3BJ,只能用empiricaldispersion=GD3 (2) 换一个有色散校正的泛函 (3) 自定义色散校正参数(往往...