and equations 2.29 and 2.30. A self-consistent solution is required due to the dependence of on . The above equations provide a theoretically exact method for finding the ground state energy of an ...

and equations 2.29 and 2.30. A self-consistent solution is required due to the dependence of on . The above equations provide a theoretically exact method for finding the ground state energy of an ...

The twentieth century has been shaped by sweeping changes in communication technology. The latest development to radically transform the communication landscape has been the widespread adoption of ...

If the source is a component of the network and the target is the network itself, then the value becomes an output from the network. If the source is the network and the target is a component of the ...

A thriving manufacturing sector is vital to the nation’s economic health and global security, yet few companies possess the research and development (R&D) capacity essential to staying competitive.

In this section the CFSE is considered and the theory of the MPC interaction is described. These effects do not occur in single-particle theories and are more difficult to compensate for than the ...

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...

Stochastic electronic structure theories, e.g., Quantum Monte Carlo methods, enable highly accurate total energy calculations which in principle can be used to construct highly accurate potential ...

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...

We describe a method for modeling constant-potential charges in heteroatomic electrodes, keeping pace with the increasing complexity of electrode composition and nanostructure in electrochemical ...

We aim to improve upon the variational Monte Carlo (VMC) approach for excitations replacing the Jastrow factor by an auxiliary bosonic (AB) ground state and multiplying it by a fermionic component ...