Double-Hybrid Density functionals for the condensed phase: gradients, stress ...
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Due to their high accuracy, Double-Hybrid Density functionals emerged to important methods for molecular electronic-structure calculations. The high computational costs of...
鉴于其极高的计算精度,双杂化密度泛函(Double-Hybrid Density functionals)已成为分子电子结构计算领域的重要方法,但其高昂的计算成本……



