X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions

M. Hudak, Dylan Jayatilaka, L. Perasinova, S. Biskupic, J. Kozisek, L. Bucinsky

Research output: Contribution to journal › Article

35 Citations (Scopus)

Original language	English
Pages (from-to)	78-92
Journal	Acta Crystallographica Section A
Volume	66
DOIs	https://doi.org/10.1107/S0108767309038744
Publication status	Published - 2010

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title = "X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions",

author = "M. Hudak and Dylan Jayatilaka and L. Perasinova and S. Biskupic and J. Kozisek and L. Bucinsky",

year = "2010",

doi = "10.1107/S0108767309038744",

language = "English",

volume = "66",

pages = "78--92",

journal = "Acta Crystallographica. Section A: Foundations of Crystallography",

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T1 - X-ray constrained unrestricted Hartree-Fock and Douglas-Kroll-Hess wavefunctions

AU - Hudak, M.

AU - Jayatilaka, Dylan

AU - Perasinova, L.

AU - Biskupic, S.

AU - Kozisek, J.

AU - Bucinsky, L.

PY - 2010

Y1 - 2010

U2 - 10.1107/S0108767309038744

DO - 10.1107/S0108767309038744

M3 - Article

C2 - 20029135

VL - 66

SP - 78

EP - 92

JO - Acta Crystallographica. Section A: Foundations of Crystallography

JF - Acta Crystallographica. Section A: Foundations of Crystallography

SN - 0108-7673

ER -