Diptarka Hait
Identifiers
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Papers (7)
- Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H$_2$ physics.chem-ph · 2018 · author #1
- Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices quant-ph · 2018 · author #4
- Delocalization errors in density functional theory are essentially quadratic in fractional occupation number physics.chem-ph · 2018 · author #1
- An efficient deterministic perturbation theory for selected configuration interaction methods cond-mat.str-el · 2018 · author #3
- xDH double hybrid functionals can be qualitatively incorrect for non-equilibrium geometries: Dipole moment inversion and barriers to radical-radical association using XYG3 and XYGJ-OS physics.chem-ph · 2018 · author #1
- How accurate is density functional theory at predicting dipole moments? An assessment using a new database of 200 benchmark values physics.chem-ph · 2017 · author #1
- A hybrid memory kernel approach for condensed phase non-adiabatic dynamics physics.chem-ph · 2017 · author #1
Mentions
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Frequent Coauthors
- Martin Head-Gordon 6 shared papers
- Daniel S. Levine 2 shared papers
- K. Birgitta Whaley 2 shared papers
- Norm M. Tubman 2 shared papers
- Adam Rettig 1 shared papers
- Carlos Mejuto-Zaera 1 shared papers
- Jarrod R. McClean 1 shared papers
- Jeffrey M. Epstein 1 shared papers
- Michael G. Mavros 1 shared papers
- Ryan Babbush 1 shared papers
- Troy Van Voorhis 1 shared papers
- William Huggins 1 shared papers
- Zhang Jiang 1 shared papers