Fission of entangled spins: An electronic structure perspective X Feng, AV Luzanov, AI Krylov The Journal of Physical Chemistry Letters 4 (22), 3845-3852, 2013 | 193 | 2013 |
Application of transition density matrix for analysis of excited states AV Luzanov, AA Sukhorukov, VE Umanskii Theoretical and Experimental Chemistry 10, 354-361, 1976 | 165 | 1976 |
Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models AV Luzanov, OA Zhikol International Journal of Quantum Chemistry 110 (4), 902-924, 2010 | 153 | 2010 |
The structure of the electronic excitation of molecules in quantum-chemical models AV Luzanov Russian Chemical Reviews 49 (11), 1033, 1980 | 115 | 1980 |
What we can learn from the norms of one-particle density matrices, and what we can’t: Some results for interstate properties in model singlet fission systems S Matsika, X Feng, AV Luzanov, AI Krylov The Journal of Physical Chemistry A 118 (51), 11943-11955, 2014 | 86 | 2014 |
Gauge-invariant calculations of magnetic properties in semiempirical approaches. Application to full-CI π-electron scheme AV Luzanov, EN Babich, VV Ivanov Journal of Molecular Structure 311, 211-220, 1994 | 70 | 1994 |
Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis AV Luzanov, D Casanova, X Feng, AI Krylov The Journal of chemical physics 142 (22), 2015 | 59 | 2015 |
High-order entropy measures and spin-free quantum entanglement for molecular problems AV Luzanov, OV Prezhdo Molecular Physics 105 (19-22), 2879-2891, 2007 | 57 | 2007 |
Structure and conformational flexibility of uracil: A comprehensive study of performance of the MP2, B3LYP and SCC-DFTB methods OV Shishkin, L Gorb, AV Luzanov, M Elstner, S Suhai, J Leszczynski Journal of Molecular Structure: THEOCHEM 625 (1-3), 295-303, 2003 | 53 | 2003 |
A wavefunction operator approach to the full-CI problem AV Luzanov, AL Wulfov, VO Krouglov Chemical physics letters 197 (6), 614-619, 1992 | 43 | 1992 |
Interpretation of excited states using charge-transfer numbers AV Luzanov, VF Pedash Theoretical and Experimental Chemistry 15 (4), 338-341, 1980 | 43 | 1980 |
Irreducible charge density matrices for analysis of many‐electron wave functions AV Luzanov, OV Prezhdo International journal of quantum chemistry 102 (5), 582-601, 2005 | 40 | 2005 |
Collectivity, shell openness indices, and complexity measures of multiconfigurational states: Computations within full CI scheme AV Luzanov, OA Zhikol International journal of quantum chemistry 104 (2), 167-180, 2005 | 38 | 2005 |
A new operator formulation of the many-electron problem for molecules AV Luzanov Theoretical and Experimental Chemistry 25, 1-10, 1989 | 37 | 1989 |
The excited state as the superposition of singly excited configurations in the density matrix formalism AV Luzanov Theoretical and Experimental Chemistry 9 (6), 567-574, 1975 | 37 | 1975 |
Analysis of multiconfigurational wave functions in terms of hole-particle distributions AV Luzanov, OV Prezhdo The Journal of chemical physics 124 (22), 2006 | 35 | 2006 |
Use of the transition density matrix for analysis of excited states AV Luzanov, AA Sukhorukov, VE Umanskii Teor. Eksp. Khim. 10 (4), 456-464, 1974 | 35 | 1974 |
Structure and spin‐purity conditions for reduced density matrices of arbitrary order AV Luzanov, GE Whyman International Journal of Quantum Chemistry 20 (6), 1179-1199, 1981 | 30 | 1981 |
Separation of spin and the fock coordinate wave function method in the N-representability problem GE Vaiman, AV Luzanov, MM Mestechkin Teor. Mat. Fiz.;(USSR) 28 (1), 1976 | 26 | 1976 |
Excited state structural analysis: TDDFT and related models AV Luzanov, OA Zhikol Practical aspects of computational chemistry I: An overview of the last two …, 2012 | 23 | 2012 |