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In the past 30 years, Kohn–Sham density functional theory has emerged as the most popular electronic structure method in computational chemistry. 阅读全文
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shen's notes non Quantum Monte Carlo 2895044375@qq.com references : Diffusion Monte Carlo : A powerful tool for studying quantum many-body systems, Ta 阅读全文
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shen's notes on Rayleigh Quotient 2895044375@qq.com conjugate transpose considering a real vector $\mathbf{x}=[x_1,x_2,...,x_n]^\top$, we define the 2 阅读全文