Explicit, First-Principles Tight-Binding Theory

• Tellurides as Zintl phases?

  2025 Journal of Physics Condensed Matter article Materials Science Crystal Structures and Properties Open access

  4

  citations
• Orbital-based bonding analysis in solids

  2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  28

  citations
• Chemical bonding with plane waves

  2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies

  9

  citations
• V8SiB4 — A new ternary phase in the V–Si–B system

  2022 Intermetallics article Engineering Intermetallics and Advanced Alloy Properties

  7

  citations
• Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means

  2022 Inorganic Chemistry article Materials Science Advanced Thermoelectric Materials and Devices

  11

  citations
• Rb 3 Er 4 Cu 5 Te 10 : Exploring the Frontier between Polar Intermetallics and Zintl‐Phases via Experimental and Quantumchemical Approaches

  2021 European Journal of Inorganic Chemistry article Physics and Astronomy Rare-earth and actinide compounds Open access

  11

  citations
• LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory

  2020 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1,585

  citations

7 results