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The spin¨Corbit coupling integrals were calculated using the effective nuclear charge with our code. The vibronic coupling constant, vibronic coupling density, electrondensity difference, and overlap density were also obtained with our program. ÊDz»ÊÇÕâÑùÎÊÈ˼ÒÒª£¬²»Àñò£¬ÕâÊÂÈ˼ҵĻúÃÜ£¬ÕâÑù²»ºÏÊÊ£¿Ð»Ð» |
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