 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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Figure 1
Overview of quantum crystallography methods and areas of their applications. Definition of the acronyms appearing in the figure (in alphabetic order): 1-RDM – one-electron reduced density matrix methods; CE – Crystal Explorer-based approaches; ELMOs – extremely localized molecular orbitals; HAR – Hirshfeld atom refinement-based techniques; EP/MM – exact potential/multipole moments method; HCMM – Hansen–Coppens multipole model; IQA – interacting quantum atom approach; NCI – non-covalent interaction technique; NoMoRe – normal mode refinement; PolaBer – distributed atomic polarizability approach; QTAIM – quantum theory of atoms in molecules; SDSF - spin density source function; Spin-HCMM: Hansen–Coppens multipole model for spin density refinement; XRW/XCW – X-ray restrained/constrained wavefunction techniques; TAAM – transferable aspherical atom model. |
![[Figure 1]](je5055fig1.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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