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In MOVB(the mixed molecular orbital and valence bond theory),the block-localized molecular orbital method(BLW)is used to localize the molecular wave function,while non-orthogonal determinants are used as configurational state functions in configuration interaction or multiconfiguration self-consistent-field calculations to determine electronic delocalization effects.We extended MOVB method from one openshell block to multi-openshell blocks,even one block has net alpha unpaired electrons and the other blocks have net beta unpaired electrons.This is useful to calculate some special ground and exited state properties.We also extended MOVB method from diagnal blocks to any size blocks.We developed multistate density functional theory(MSDFT),an extension of MOVB.In MSDFT,the variational diabatic configuration(VDC)method is that only the configurational coefficients are optimized,and the consistent diabatic state(CDC)method is that both configurational and orbital coefficients in all states are consistently optimized as multiconfiguration self-consistent field theory(MCSCF).MSDFT has the advantage of including both dynamic and correlation effects to overcome self-interaction errors in current approximate KS-DFT.