| 1 |
A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems
Bennett MC, Kulahlioglu AH, Mitas L
Chemical Physics Letters, 667, 74, 2017 |
| 2 |
Noncovalent Interactions by Quantum Monte Carlo
Dubecky M, Mitas L, Jurecka P
Chemical Reviews, 116(9), 5188, 2016 |
| 3 |
Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations
Kulahlioglu AH, Rasch K, Hu SM, Mitas L
Chemical Physics Letters, 591, 170, 2014 |
| 4 |
Study of Ne-core and He-core pseudopotential errors in the MnO molecule: Quantum Monte Carlo benchmark
Zhu MY, Mitas L
Chemical Physics Letters, 572, 136, 2013 |
| 5 |
Impact of electron density on the fixed-node errors in Quantum Monte Carlo of atomic systems
Rasch KM, Mitas L
Chemical Physics Letters, 528, 59, 2012 |
| 6 |
Quantum Monte Carlo for atoms, molecules and solids
Lester WA, Mitas L, Hammond B
Chemical Physics Letters, 478(1-3), 1, 2009 |
| 7 |
A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules
Wagner L, Mitas L
Chemical Physics Letters, 370(3-4), 412, 2003 |
| 8 |
A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion
Harkless JAW, Rodriguez JH, Mitas L, Lester WA
Journal of Chemical Physics, 118(11), 4987, 2003 |
| 9 |
Ground-state reconstruction of the Si(001) surface: symmetric versus buckled dimers
Bokes P, Stich I, Mitas L
Chemical Physics Letters, 362(5-6), 559, 2002 |
