The LUT-IOTC method was implemented to GAMESS 2016

Our LUT-IOTC method was implemented to GAMESS 2016.
DocumentationGAMESS Input Description
LinkChange Histroy of GAMESS

Related papers

"Local unitary transformation method for large-scale two-component relativistic calculations: Case for a one-electron Dirac Hamiltonian"
J. Seino and H. Nakai, J. Chem. Phys., 136, 244102 (2012).

"Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation"
Y. Nakajima, J. Seino, and H. Nakai, J. Chem. Phys., 139, 244107 (2013).

"Implementation of Efficient Two-component Relativistic Method Using Local Unitary Transformation to GAMESS Program"
Y. Nakajima, J. Seino, M. W. Schmidt, and H. Nakai, J. Comput. Chem. Jpn., 15, 68 (2016).

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