توضیحات:
تحقیق دانشجویی تحت عنوان روشهای فوق هارتری – فاک: تعامل پیکربندی، در قالب فایل پاورپوینت به زبان انگلیسی.
The MRCISD energies are not size-consistent but are often very accurate
The MRCISD method is particularly suitable for the study of excited states and for the reactive potential energy surfaces
MRCISD calculations are expensive and difficult to converge
محتوای فایل دانلودی
Why configuration interaction?
The presence of electron(1) modifies the probability distribution for electron(2)
Configuration Interaction
The MCSCF method
Multi-reference conguration interaction theory MRCI