机译:嵌段局部化波函数的概括对激发决定簇的约束优化
Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University;
Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University;
Department of Chemistry University of Washington;
Department of Chemistry University of Washington;
Department of Chemistry University of Washington;
Beijing National Laboratory for Molecular Sciences State Key Laboratory for Structural Chemistry of Unstable and Stable Species Institute of Chemistry Chinese Academy of Sciences;
Institute of Systems and Physical Biology Shenzhen Bay Laboratory;
机译:原子和分子电子波函数从头计算的优化基集多配置自旋耦合方法的广义化
机译:使用密度矩阵和变分原理跟踪波函数优化中的激发状态
机译:广义布里渊定理(GBT) - 般的实现,以优化兴奋状态的价键波函数
机译:Laguerre轨道的广义化,精确化和实用的原子分析波函数
机译:时间依赖性PDE约束的优化问题的优化和模型减少:在声表面波驱动的微流体生物芯片中的应用。
机译:激发态轨迹朝向波函数对称引导的能量转移或电子传递的分叉
机译:嵌段局部波函数的概括,用于兴奋决定簇的约束优化
机译:线性约束不定函数的优化