Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals
利用辅助场量子蒙特卡罗方法计算茂金属电离势：迈向过渡金属量子化学的基准研究
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.1c01071
Rudshteyn, Benjamin; Weber, John L; Coskun, Dilek; Devlaminck, Pierre A; Zhang, Shiwei; Reichman, David R; Shee, James; Friesner, Richard A
