国家/地区 Ireland（2）
关键词
出版物 PHYSICAL REVIEW B（2）
出版时间
机构
作者 ROYCHOUDHURY S（2）

Wannier-function-based constrained DFT with nonorthogonality-correcting Pulay forces in application to the reorganization effects in graphene-adsorbed pentacene

PHYSICAL REVIEW B

ROYCHOUDHURY S, O REGAN DD, SANVITO S

Charge transfer energies of benzene physisorbed on a graphene sheet from constrained density functional theory

PHYSICAL REVIEW B

ROYCHOUDHURY S, MOTTA C, SANVITO S