Wasserman Group
 

2019

 

2018

 
 

LIST OF PUBLICATIONS

 

50. Density embedding with constrained chemical potential. Niffenegger, K., Y. Oueis, J. Nafziger, and A. Wasserman.  Molecular Physics (2019): 1-7. [link]
49. Partition potential for hydrogen-bonding in formic acid dimers, S. Gomez, Y. Oueis, A. Restrepo, and A. Wasserman, Int J Quantum Chem (2019): e25814. [link]
48. Constructing a Non-additive Non-interacting Kinetic Energy Functional Approximation for Covalent Bonds from Exact Conditions, K. Jiang, J. Nafziger, and A. Wasserman, J. Chem. Phys. 149, 164112 (2018). [link]
47. Exact partition potential for model systems of interacting electrons in 1-D, Y. Oueis and A. Wasserman, Eur. Phys. J. B (2018) 91: 247. [link]
46. Non-additive Non-interacting Kinetic Energy of Rare Gas Dimers K. Jiang, J. Nafziger, and A. Wasserman, J. Chem. Phys. 148, 104113 (2018).  [link]
45. Numerical Methods for the Inverse Problem of Density Functional Theory D.S. Jensen and A. Wasserman, Int. J. Quantum Chem. 118, e:25425 (2018). [link]
44. The Importance of Being Inconsistent A. Wasserman, J. Nafziger, K. Jiang, M.C. Kim, E. Sim, and K. Burke, Annu. Rev. Phys. Chem. 68, 555 (2017). [link]
43. Accurate Reference Data for the Non-Additive Non-Interacting Kinetic Energy in Covalent Bonds J. Nafziger, K. Jiang, and A. Wasserman, J. Chem. Theory Comput. 13, 577 (2017). [link]
42. Partition-DFT On The Water Dimer S. Gomez, J. Nafziger, A. Restrepo, and A. Wasserman, J. Chem. Phys. 146, 074106 (2017).
41. Numerical Density-to-Potential Inversions In Time-Dependent Density Functional Theory D.S. Jensen and A. Wasserman, P. Chem. Chem. Phys. 18, 21079 (2016). [link]
40. Ground-state Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange C.H. Borca, L.V. Slipchenko, and A. Wasserman, J. Phys. Chem. A 120, 8190 (2016). [link]
39. Time-dependent Electronic Populations in Fragment-based Time-dependent Density Functional Theory M.A. Mosquera and A. Wasserman, J. Chem. Theory Comput. 11, 3530 (2015) [link]
38. Fragment-based treatment of delocalization and static-correlation errors in Density Functional Theory J. Nafziger and A. Wasserman, J. Chem. Phys. 143, 234105 (2015). [link]
37. Time-dependent Electronic Populations in Fragment-based Time-dependent Density Functional Theory M.A. Mosquera and A. Wasserman, J. Chem. Theory Comput. 11, 3530 (2015) [link]
36. Non-analytic Spin Density Functionals M.A. Mosquera and A. Wasserman, Top. Curr. Chem.  365, 145 (2015) [link]
35. Derivative discontinuities in density functional theory M.A. Mosquera and A. Wasserman, Mol. Phys. 112, 2997 (2014); New Views Article  [link]
34. Density-based Partitioning Methods for Ground-State Molecular Calculations J. Nafziger and A. Wasserman, J. Phys. Chem. A 118, 7623 (2014); Feature Article  [link]
33. Integer Discontinuity of Density Functional Theory M.A. Mosquera and A. Wasserman, Phys. Rev. A 89, 052506 (2014) [link]
32. Current Density Partitioning in Time-dependent Current Density Functional Theory M.A. Mosquera and A. Wasserman, J. Chem. Phys. 140, 18A525 (2014) [link]
31. Comment: Application of Partition Density Functional Theory to One-dimensional Models P. Elliott, D. Jensen, A. Wasserman, and K. Burke, Phys. Rev. A 89, 026501 (2014) [link]
30. Stark Ionization of Atoms and Molecules within Density Functional Resonance Theory A.H. Larsen, U. De Giovannini, D.L. Whitenack, A. Wasserman, and A. Rubio, J. Phys. Chem. Lett. 4, 2734 (2013) [link]
29. Fragment-based Time-dependent Density-functional Theory M.A. Mosquera, D. Jensen, and A. Wasserman, Phys. Rev. Lett. 111, 023001 (2013) [link]
28. On the Action Formalism of Time-dependent Density Functional Theory M.A. Mosquera, Phys. Rev. A 88, 022515 (2013) [link]
27. Pi Donation and its Effects on the Excited-state Lifetimes of Luminescent Platinum(II) Terpyridine Complexes in Solution L. Hight, M. McGuire, Y. Zhang, M. Bork, P. Fanwick, A. Wasserman, and D. McMillin, Inorg. Chem. 52, 8476 (2013) [link]
26. Partition Density Functional Theory and its Extension to the Spin-polarized Case M.A. Mosquera and A. Wasserman, Molecular Phys. 111, 505 (2013) [link]
25. Exchange-Correlation Asymptotics and High Harmonic Spectra M.R. Mack, D.L. Whitenack, and A. Wasserman, Chem. Phys. Lett. 558, 15 (2013)
24. Linear Response Theory of Uniformly Complex-Scaled Many-Body Systems D.L. Whitenack, Ann. Phys. 524, 814 (2012) [link]
23. Density-Functional Resonance Theory: complex density functions, convergence, orbital energies and functionals, D. L. Whitenack and A. Wasserman,  J. Chem. Phys. 136, 164106 (2012) [link]
22. Fragment Occupations in Partition Density Functional Theory R. Tang, J. Nafziger, and A. Wasserman, Phys. Chem. Chem. Phys. 14, 7780 (2012) [link]
21. Density-Functional Derivative Discontinuity at the Maximum Number of Bound Electrons D. L. Whitenack, Y. Zhang, and A.Wasserman,  Phys. Rev. A 85, 042504 (2012)
20. Molecular Binding Energies from Partition Density Functional Theory J. Nafziger, Q. Wu, and A. Wasserman,  J. Chem. Phys. 135, 234101 (2011) [link]
19. Density Functional Resonance Theory of Unbound Electronic Systems D.L. Whitenack, and A. Wasserman, Phys. Rev. Lett. 107, 163002 (2011) [link]
18. Transferability of Atomic Properties in Molecular Partitioning: A Comparison Y. Zhang and A. Wasserman, J. Chem. Theory Comput. 6, 3312 (2010) [link]
17. Partition Density Functional Theory P. Elliott, K. Burke, M.H. Cohen, and A. Wasserman, Phys. Rev. A 82, 024501 (2010) [link]
16. Resonance Lifetimes from Complex Densities D.L. Whitenack and A. Wasserman, J. Phys. Chem. Lett. 1, 407-411 (2010) [link]
15. Semiclassical Ground-State Energies of Many-Electron Systems B.R. Landry, A. Wasserman, and E.J. Heller, Phys. Rev. Lett. 103, 066401 (2009) [link]
14. Density Functional Partition Theory with Fractional Occupations P. Elliott, M.H. Cohen, A. Wasserman, and K. Burke, J. Chem. Theory Comput. 5, 827 (2009) [link]
13. Charge Transfer in Partition Theory M.H. Cohen, A. Wasserman, R. Car, and K. Burke, J. Phys. Chem. A 113, 2183 (2009) [link]
12. Investigating interaction-induced chaos using time-dependent density-functional theory, Wasserman A, Maitra NT, Heller EJ., Physical Review a - Atomic, Molecular, and Optical Physics. 77 (2008) [link]
11. Partition theory: a very simple illustration, Cohen MH, Wasserman A, Burke K, The Journal of Physical Chemistry. A. 111: 12447-53 (2007) [link]
10. Time-dependent density functional calculation of e-H scattering, van Faassen M, Wasserman A, Engel E, Zhang F, Burke K, Physical Review Letters. 99: 043005 (2007) [link]
9. On the foundations of chemical reactivity theory, Cohen MH, Wasserman A, The Journal of Physical Chemistry. A. 111: 2229-42 (2007) [link]
8. Hohenberg-Kohn theorem for the lowest-energy resonance of unbound systems, Wasserman A, Moiseyev N, Physical Review Letters. 98: 093003 (2007) [link]
7. On hardness and electronegativity equalization in chemical reactivity theory, Cohen MH, Wasserman A, Journal of Statistical Physics. 125: 1121-1139 (2006) [link]
6. Scattering amplitudes, Wasserman A, Burke K, Lecture Notes in Physics. 706: 493-505 (2006) [link]
5. Rydberg transition frequencies from the local density approximation, Wasserman A, Burke K, Physical Review Letters. 95: 163006 (2005) [link]
4. Continuum states from time-dependent density functional theory, Wasserman A, Maitra NT, Burke K, The Journal of Chemical Physics. 122: 144103 (2005) [link]
3. N-representability and stationarity in time-dependent density-functional theory, Cohen MH, Wasserman A, Physical Review A. 71 (2005) [link]
2. Accurate Rydberg excitations from the local density approximation, Wasserman A, Maitra NT, Burke K, Physical Review Letters. 91: 263001 (2003) [link]
1. Revisiting N‐continuous density‐functional theory: Chemical reactivity and “Atoms” in “Molecules”, Cohen MH, Wasserman A, Israel journal of chemistry (2003) [link]


Click HERE for nanoHUB contributions