153 citations · 729 across the 37 of their papers we have counts for
37 papers
Möbius carbon nanobelts interacting with heavy metal nanoclusters
C. Aguiar, N. Dattani, I. Camps
To investigate the interaction between carbon and Mobius-type carbon nanobelts and nickel, cadmium, and lead nanoclusters, we utilized the semiempirical tight binding framework pro…
Möbius boron-nitride nanobelts interacting with heavy metal nanoclusters
C. Aguiar, N. Dattani, I. Camps
How do nickel, cadmium, and lead nanoclusters interact with boron-nitride and Mobius-type boron-nitride nanobelts? To answer this question, we used the semiempirical tight binding…
Electronic and structural properties of Möbius boron-nitride and carbon nanobelts
C. Aguiar, N. Dattani, I. Camps
Using the semiempirical tight binding method as implemented in the xTB program, we characterized Möbius boron-nitride and carbon-based nanobelts with different sizes and compared t…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…
Computer-predicted ionization energy of carbon within 1 cm of the best experiment
Nike Dattani, Giovanni LiManni, David Feller +1
We show that we can predict the first ionization energy of the carbon atom to within 0.872 cm of the experimental value. This is an improvement of more than a factor of 6.5…
All 4-variable functions can be perfectly quadratized with only 1 auxiliary variable
Nike Dattani, Hou Tin Chau
We prove that any function with real-valued coefficients, whose input is 4 binary variables and whose output is a real number, is perfectly equivalent to a quadratic function whose…