Analytical potential energy functions and spectroscopic properties of the ground and excited states of BH molecule
BH分子基态和激发态解析势能函数和光谱性质

Keywords: potential energy curve,analytical potential energy function,multi-reference configuration interaction,spectroscopic parameters
势能曲线，,解析势能函数，,多参考组态相互作用方法，,光谱常数

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Abstract:

运用多参考组态相互作用的方法和Dunning’s相关调和基函数并含扩散基的大基组aug-cc-pV5Z,获得了BH分子基态（X1Σ+）和6个电子激发态（a3П, A1П, B1Σ+, b3Σ+, b3

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