Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C60 and fullerene dimers C120. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides
The electronic structure of BaxC60 fullerides was studied theoretically under special consideration ...
We present the first studies of the electronic structure of the heterofullerene (C59N)2 using electr...
The aim of this work is to find a method suitable at least for obtaining the isolated molecule band ...
Multiconfigurational second order perturbation theory was employed in order to describe the ground a...
The properties of excited short-living electron quantum levels of positively charged C60+Z fullerene...
F56-F63An understanding of the electronic structure of fullerenes requires a proper treatment of ele...
The geometrical structures and energetics of positively doubly charged fullerene dimer (C60)22+ conf...
The phenomenology of C60 both as isolated molecule and in condensed phases is reviewed. C60 compound...
The electronic structure of X60 molecules (X=C, Si) is considered in terms of 60 odd electrons and t...
The phenomenology of C60 both as isolated molecule and in condensed phases is reviewed. C60 compound...
Abstract: Electronic structure of X60 molecules (X=C, Si) is considered in terms of 60 odd electrons...
We compute, based on density-functional electronic-structure calculations, the Coulomb couplings in ...
We present studies of the electronic structure of polymerized orthorhombic Rb1C60 and dimerised C59N...
Fullerene C60 is considered as an ideal building block for novel molecular devices due to its nearly...
Electronic structure of X60 molecules (X = C, Si) is considered in terms of 60 odd electrons and spi...
The electronic structure of BaxC60 fullerides was studied theoretically under special consideration ...
We present the first studies of the electronic structure of the heterofullerene (C59N)2 using electr...
The aim of this work is to find a method suitable at least for obtaining the isolated molecule band ...
Multiconfigurational second order perturbation theory was employed in order to describe the ground a...
The properties of excited short-living electron quantum levels of positively charged C60+Z fullerene...
F56-F63An understanding of the electronic structure of fullerenes requires a proper treatment of ele...
The geometrical structures and energetics of positively doubly charged fullerene dimer (C60)22+ conf...
The phenomenology of C60 both as isolated molecule and in condensed phases is reviewed. C60 compound...
The electronic structure of X60 molecules (X=C, Si) is considered in terms of 60 odd electrons and t...
The phenomenology of C60 both as isolated molecule and in condensed phases is reviewed. C60 compound...
Abstract: Electronic structure of X60 molecules (X=C, Si) is considered in terms of 60 odd electrons...
We compute, based on density-functional electronic-structure calculations, the Coulomb couplings in ...
We present studies of the electronic structure of polymerized orthorhombic Rb1C60 and dimerised C59N...
Fullerene C60 is considered as an ideal building block for novel molecular devices due to its nearly...
Electronic structure of X60 molecules (X = C, Si) is considered in terms of 60 odd electrons and spi...
The electronic structure of BaxC60 fullerides was studied theoretically under special consideration ...
We present the first studies of the electronic structure of the heterofullerene (C59N)2 using electr...
The aim of this work is to find a method suitable at least for obtaining the isolated molecule band ...
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