متن کامل ترجمه مقاله ISI در AIP در فایل word به فروش می رسد که ترجمه چکیده آن را به عنوان نمونه می توانید ملاحظه فرمایید. Numerical solution of SchrOdinger's equation in polyatomic molecules Abstract We have developed a fully numerical, basis-set-free algorithm for solution of the SchrOdinger single-particle equation in polyatomic molecules. As a test of the algorithm, the Hartree-Fock energy ofH3+ is computed and compared with previous momentum-space benchmarks. The present calculations are ...