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Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts

Péter R. Surján: A Festschrift from Theoretical Chemistry Accounts

Paperback

Series: Highlights in Theoretical Chemistry, Book 12

ChemistryPhysics

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ISBN10: 3662570378
ISBN13: 9783662570371
Publisher: Springer
Published: May 27 2018
Pages: 266
Weight: 1.37
Height: 0.58 Width: 8.27 Depth: 10.98
Language: English
From the content: Preface.- Local random phase approximation with projected oscillator orbitals.- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states.- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.

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