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单词 Slater determinant
释义

Slater determinant

中文百科

斯莱特行列式

斯莱特行列式是多电子体系波函数的一种表达方式,他以量子物理学家斯莱特的名字命名。这种形式的波函数可以满足对多电子波函数的反对称要求(即所谓泡利原理):交换体系中任意两个电子,则波函数的符号将会反转。在量子化学中,所有基于分子轨道理论的计算方法都用斯莱特行列式的形式来表示多电子体系的波函数。

英语百科

Slater determinant 斯莱特行列式

In quantum mechanics, a Slater determinant is an expression that describes the wavefunction of a multi-fermionic system that satisfies anti-symmetry requirements and consequently the Pauli principle by changing sign upon exchange of two electrons (or other fermions). It is named for John C. Slater, who introduced the determinants in 1929 as a means of ensuring the antisymmetry of a wave function. But actually the wave function in the determinant form first appeared three years earlier independently in Heisenberg's and Dirac's papers. The Slater determinant arises from the consideration of a wave function for a collection of electrons, each with a wave function known as the spin-orbital, \chi(\mathbf{x}), where \mathbf{x} denotes the position and spin of the singular electron. Two electrons within the same spin orbital result in no wave function.

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更新时间:2025/6/17 19:41:41