Péter Pulay 人物
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Convergence acceleration of iterative sequences. the case of scf iteration
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The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces
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Geometry optimization by direct inversion in the iterative subspace
1984Journal of Molecular Structure引用 550
Comparison of the boys and Pipek–Mezey localizations in the local correlation approach and automatic virtual basis selection
1993Journal of Computational Chemistry引用 306
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University of Arkansas at FayettevilleUNIVERSITY
Eötvös Loránd UniversityUNIVERSITY
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