1. Departamento de Física, Universidade Federal de Santa Maria, 97105-900, Santa Maria, RS,
Brazil
2. State Key
Laboratory of Catalysis and Center for Theoretical
and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China
3. Center for Atomic-scale Materials Design, Department
of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark
4. Instituto
de Física de São Carlos, Universidade de São Paulo, Caixa Postal 369,
13560-970, São Carlos, SP, Brazil
5. Instituto
de Química de São Carlos, Universidade de São Paulo, Caixa Postal 780,
13560-970, São Carlos, SP, Brazil