Large-scale relativistic complete active space self-consistent field with robust convergence
نویسندگان
چکیده
منابع مشابه
A general second order complete active space self-consistent-field solver for large-scale systems
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2018
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5036594