linearscaling相关论文
A refined cluster-in-molecule local correlation approach for predicting the relative energies of lar
In this work,we present a linear scaling method,refined cluster-in-molecule (CIM) approach,for the local correlation cal......
A TDDFT Approach for Calculating Frequency Dependent Polarizabilities and Excitation Energies with N
Time dependent density functional theory(TDDFT)is a useful tool to calculate molecular properties with reasonable comput......
A linear scaling method based on non-orthogonal localized molecular orbitals(NOLMO)has been proposed.NOLMOs are the ......
