(Post-Hartree Fock Methods:Configuration Interaction (CI
(Post-Hartree Fock Methods:Configuration Interaction (CI
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
MRCISD calculations are expensive and difficult to converge
