| Year |
Citation |
Score |
| 2018 |
Gaiduk AP, Gustafson JA, Gygi F, Galli G. First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional. The Journal of Physical Chemistry Letters. PMID 29768015 DOI: 10.1021/Acs.Jpclett.8B01017 |
0.567 |
|
| 2018 |
Gaiduk AP, Pham TA, Govoni M, Paesani F, Galli G. Electron affinity of liquid water. Nature Communications. 9: 247. PMID 29339731 DOI: 10.1038/S41467-017-02673-Z |
0.511 |
|
| 2017 |
Gaiduk AP, Galli G. Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water. The Journal of Physical Chemistry Letters. PMID 28267335 DOI: 10.1021/Acs.Jpclett.7B00239 |
0.462 |
|
| 2016 |
Gaiduk AP, Govoni M, Seidel R, Skone J, Winter B, Galli G. Photoelectron spectra of aqueous solutions from first principles. Journal of the American Chemical Society. PMID 27105336 DOI: 10.1021/Jacs.6B00225 |
0.58 |
|
| 2015 |
Gaiduk AP, Gygi F, Galli G. Density and Compressibility of Liquid Water and Ice from First-Principles Simulations with Hybrid Functionals. The Journal of Physical Chemistry Letters. 6: 2902-8. PMID 26267178 DOI: 10.1021/Acs.Jpclett.5B00901 |
0.533 |
|
| 2014 |
Gaiduk AP, Zhang C, Gygi F, Galli G. Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals Chemical Physics Letters. 604: 89-96. DOI: 10.1016/J.Cplett.2014.04.037 |
0.589 |
|
| 2013 |
Gaiduk AP, Ryabinkin IG, Staroverov VN. Removal of Basis-Set Artifacts in Kohn-Sham Potentials Recovered from Electron Densities. Journal of Chemical Theory and Computation. 9: 3959-64. PMID 26592391 DOI: 10.1021/Ct4004146 |
0.719 |
|
| 2013 |
Kananenka AA, Kohut SV, Gaiduk AP, Ryabinkin IG, Staroverov VN. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations. The Journal of Chemical Physics. 139: 074112. PMID 23968077 DOI: 10.1063/1.4817942 |
0.727 |
|
| 2012 |
Gaiduk AP, Firaha DS, Staroverov VN. Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials. Physical Review Letters. 108: 253005. PMID 23004596 DOI: 10.1103/Physrevlett.108.253005 |
0.723 |
|
| 2012 |
Gaiduk AP, Staroverov VN. A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends. The Journal of Chemical Physics. 136: 064116. PMID 22360178 DOI: 10.1063/1.3684261 |
0.707 |
|
| 2012 |
Gaiduk AP, Mizzi D, Staroverov VN. Self-interaction correction scheme for approximate Kohn-Sham potentials Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.052518 |
0.548 |
|
| 2011 |
Gaiduk AP, Staroverov VN. Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.012509 |
0.711 |
|
| 2010 |
Gaiduk AP, Staroverov VN. Communication: Explicit construction of functional derivatives in potential-driven density-functional theory. The Journal of Chemical Physics. 133: 101104. PMID 20849155 DOI: 10.1063/1.3483464 |
0.698 |
|
| 2009 |
Gaiduk AP, Chulkov SK, Staroverov VN. Reconstruction of Density Functionals from Kohn-Sham Potentials by Integration along Density Scaling Paths. Journal of Chemical Theory and Computation. 5: 699-707. PMID 26609574 DOI: 10.1021/Ct800514Z |
0.711 |
|
| 2009 |
Gaiduk AP, Staroverov VN. How to tell when a model Kohn-Sham potential is not a functional derivative. The Journal of Chemical Physics. 131: 044107. PMID 19655837 DOI: 10.1063/1.3176515 |
0.708 |
|
| 2008 |
Gaiduk AP, Staroverov VN. Virial exchange energies from model exact-exchange potentials. The Journal of Chemical Physics. 128: 204101. PMID 18513004 DOI: 10.1063/1.2920197 |
0.659 |
|
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