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- 2015
- Can the electronegativity equalization method predict spectroscopic properties?
- 2014
- Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
- How to compute the Fukui matrix and function for systems with (quasi-)degenerate states
- Nonvariational orbital optimization techniques for the AP1roG wave function
- Aliovalent doping of CeO2: DFT study of oxidation state and vacancy effects
- The influence of orbital rotation on the energy of closed-shell wavefunctions
- Axially chiral BODIPYs
- Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications
- Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes
- Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals