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检索条件"主题词=Multi-Reference"
5 条 记 录,以下是1-10 订阅
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Noise cancellation of a multi-reference full-wave magnetic resonance sounding signal based on a modified sigmoid variable step size least mean square algorithm
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Journal of Central South University 2017年 第4期24卷 900-911页
作者: 田宝凤 周媛媛 朱慧 蒋川东 易晓峰 Key Laboratory of Geo-Exploration Instrumentation Ministry of Education (Jilin University)Changchun 130026 China College of Instrumentation and Electrical Engineering Jilin University Changchun 130026 China
Nano-volt magnetic resonance sounding(MRS) signals are sufficiently weak so that during the actual measurement, they are affected by environmental electromagnetic noise, leading to inaccuracy of the extracted characte... 详细信息
来源: 维普期刊数据库 维普期刊数据库 同方期刊数据库 同方期刊数据库 评论
A modified multi-reference second order perturbation theory
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中国科学:化学英文版 2010年 第4期53卷 933-939页
作者: LI AnYang1, HAN HuiXian2, SUO BingBing3, WANG YuBin3 & WEN ZhenYi3 1Institute of Computational Chemistry, Chongqing University of Post and Telecommunications, Chongqing 400065, China 2Department of Physics, Northwest University, Xi’ an 710069, China 3Institute of Modern Physics, Northwest University, Xi’ an 710069, China Institute of Computational Chemistry Chongqing University of Post and Telecommunications Chongqing China Department of Physics Northwest University Xi’ an China Institute of Modern Physics Northwest University Xi’ an China
A new scheme with extended model space is proposed to improve the calculation of multi-reference second order perturbation theory (MRPT2). The new scheme preserves the concise code structure of the original program, a... 详细信息
来源: 维普期刊数据库 维普期刊数据库 同方期刊数据库 同方期刊数据库 评论
Configuration-based multi-reference second order perturbation theory
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Science China Chemistry 2000年 第6期43卷 567-575页
作者: 王育彬 甘正汀 苏克和 文振翼 Institute of Modern Physics Northwest University Xi'an 710069 China Department of Chemical Engineering Northwestern Polytechnical University Xi'an 710072 China
Various configuration-based multi-reference second order perturbation approaches were investigated and a new scheme averting intruder states was suggested. The codes based on these schemes were tested by example calcu... 详细信息
来源: 维普期刊数据库 维普期刊数据库 同方期刊数据库 同方期刊数据库 评论
Quantum-Mechanical Information Content of multiples Hartree-Fock Solutions. The multi-reference Hartree-Fock Configuration Interaction Method
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Journal of Modern Physics 2014年 第7期5卷 543-548页
作者: Luiz Augusto Carvalho Malbouisson Antonio Moreira de Cerqueira Sobrinho Micael Dias de Andrade 1Departamento de Física do Estado Sólido do Instituto de Física da UFBA Salvador Brazil 2Departamento de Físico-Química do Instituto de Química da UFRJ Rio de Janeiro Brazil Departamento de Física do Estado Sólido do Instituto de Física da UFBA Salvador Brazil
The Hartree-Fock equation is non-linear and has, in principle, multiple solutions. The ωth HF extreme and its associated virtual spin-orbitals furnish an orthogonal base Bω of the full configuration interaction spac... 详细信息
来源: 维普期刊数据库 维普期刊数据库 评论
Low-lying electronic states of aluminum monoiodide
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Chinese Physics B 2019年 第4期28卷 150-156页
作者: 袁翔 阴爽 连艺 颜培源 徐海峰 闫冰 Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University) Institute of Atomic and Molecular PhysicsJilin University
High-level ab initio calculations of aluminum monoiodide(AlI) molecule are performed by utilizing the multireference configuration interaction plus Davidson correction(MRCI+Q) method. The core-valence correlation(CV) ... 详细信息
来源: 维普期刊数据库 维普期刊数据库 同方期刊数据库 同方期刊数据库 评论