A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields.
构建实用、高效的下一代基于轨道的量子力场的变分线性标度框架
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/ct3010134
Giese Timothy J, Chen Haoyuan, Dissanayake Thakshila, GiambaÅu George M, Heldenbrand Hugh, Huang Ming, Kuechler Erich R, Lee Tai-Sung, Panteva Maria T, Radak Brian K, York Darrin M
