Spin-adapted density matrix renormalization group algorithms for quantum chemistry
نویسندگان
چکیده
منابع مشابه
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finitesize quantum systems with strong correlation. In the fields of condensed matter, nuclear structure and molecular electronic structure, it has significantly extended the system sizes that can be handled compared to full configuration interaction, without losing numerical ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3695642