المؤلفون: Oinam Romesh Meitei (8817377), Nicholas J. Mayhall (1273623)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Space Science, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, space framework, Large Molecules, spin-flip models, spin-flip approach, spin-flip calculations, multiconfigurational systems, Accurate results, Practical Approach, theory approaches, energy gaps, truncation scheme, on-top pair-density, coupled-cluster theory, Spin-Flip Pair-Density Functional T., use perturbation theory, Dynamical Correlations, correlation, polyacene chains, low-computational expense

Relation: https://figshare.com/articles/journal_contribution/Spin-Flip_Pair-Density_Functional_Theory_A_Practical_Approach_To_Treat_Static_and_Dynamical_Correlations_in_Large_Molecules/14442573

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00121.s001

المؤلفون: Oinam Romesh Meitei (8817377), Nicholas J. Mayhall (1273623)

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Space Science, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, space framework, Large Molecules, spin-flip models, spin-flip approach, spin-flip calculations, multiconfigurational systems, Accurate results, Practical Approach, theory approaches, energy gaps, truncation scheme, on-top pair-density, coupled-cluster theory, Spin-Flip Pair-Density Functional T., use perturbation theory, Dynamical Correlations, correlation, polyacene chains, low-computational expense

Relation: https://figshare.com/articles/dataset/Spin-Flip_Pair-Density_Functional_Theory_A_Practical_Approach_To_Treat_Static_and_Dynamical_Correlations_in_Large_Molecules/14442576

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00121.s002