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浏览/检索结果: 共5条，第1-5条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2017 Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian 收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03 DENSITY-FUNCTIONAL THEORY  MULTIREFERENCE PERTURBATION-THEORY  GAUSSIAN-BASIS SETS  GENERALIZED-GRADIENT-APPROXIMATION  CORRELATED MOLECULAR CALCULATIONS  CONFIGURATION-INTERACTION METHOD  POTENTIAL-ENERGY SURFACES  MODEL-SPACE COEFFICIENTS  COUPLED-CLUSTER METHOD  ANO BASIS-SETS   iCI: Iterative CI toward full CI 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016 Liu, Wenjian; Hoffmann, Mark R. 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 COUPLED-CLUSTER THEORY  MULTIREFERENCE PERTURBATION-THEORY  CONFIGURATION-INTERACTION METHOD  MANY-BODY PERTURBATION  GENERALIZED MOLLER-PLESSET  EXACT WAVE-FUNCTION  ELECTRON-PAIR APPROXIMATION  SIZE-EXTENSIVE MODIFICATION  MODEL-SPACE COEFFICIENTS  VALENCE-BOND METHOD   FAST FINITE DIFFERENCE APPROXIMATION FOR IDENTIFYING PARAMETERS IN A TWO-DIMENSIONAL SPACE-FRACTIONAL NONLOCAL MODEL WITH VARIABLE DIFFUSIVITY COEFFICIENTS 期刊论文 SIAM JOURNAL ON NUMERICAL ANALYSIS, 2016, 卷号: 54, 期号: 2, 页码: 606-624 作者:  Chen, S.;  Liu, F.;  Jiang, X.;  Turner, I.;  Burrage, K. 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/16 space-fractional nonlocal model  variable coefficients  implicit  difference method  FBi-CGSTAB  parameter identification  L-M  regularization method   A universal explicit electron correlation correction applied to Mukherjee's multi-reference perturbation theory 期刊论文 化学物理学快报, 2012 Haunschild, Robin; Mao, Shuneng; Mukherjee, Debashis; Klopper, Wim 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/12 COUPLED-CLUSTER THEORY  MODEL-SPACE COEFFICIENTS  ZETA BASIS-SETS  WAVE-FUNCTIONS  TERMS  MOLECULES  CI   Space optical remote sensor of the CAE thermal control index calculation method (EI CONFERENCE) 会议论文 2011 International Conference on Advanced Design and Manufacturing Engineering, ADME 2011, September 16, 2011 - September 18, 2011, Guangzhou, China Li L. 收藏  |  浏览/下载：17/0  |  提交时间：2013/03/25 The thermal control indicators CAE methods of Space optical remote sensor are analyzed in the presented work. We sat up a thermal optical analysis model for space optical remote sensor. By assuming fully covered by in-orbit temperature load  and using the finite element method for thermal deformation analysis  we obtained the optical remote sensor surface deformation and displacement under various thermal loading. Using ZERNIKE polynomial  wave was fitted to obtain ZERNIKE polynomial coefficients which were incorporated into the optical system design. Using CODE V optical calculation software  heat-ray machines under elastic deformation of the system point spread function  transfer function (MTF)  wave front differential (WFE) etc. were calculated. Image quality changes of remote sensors are discussed in variety assumed cases such as temperature loads of quality change. By repeated iteration  critical value of temperature fields meeting the design requirements are obtained for the optical system. Optical indicators were converged to the temperature field indicator  then reasonable indicators of thermal control for remote sensors were obtained. For the thermal control design  this method provided a reliable basis for design. (2011) Trans Tech Publications  Switzerland.