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GAMESS (US) can perform several general computational chemistry calculations, including Hartree–Fock method, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF).
Neutral atom quantum computer (qubit implemented by internal states of neutral atoms trapped in an optical lattice or an array of dipole traps, i.e. optical tweezers) [5] [6] [7] Quantum dot computer, spin -based (e.g. the Loss-DiVincenzo quantum computer [ 8 ] ) (qubit given by the spin states of trapped electrons)
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Rocket U2 is a suite of database management (DBMS) and supporting software now owned by Rocket Software. It includes two MultiValue database platforms: UniData and UniVerse. [1] Both of these products are operating environments which run on current Unix, Linux and Windows operating systems. [2] [3] They are both derivatives of the Pick ...
Dirac (named after Paul Dirac; own notation DIRAC) is a relativistic ab initio quantum chemistry program. The full name is Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations, in short PAM DIRAC.
Database name Language implemented in Notes Apache Doris Java & C++ Open source (since 2017), database for high-concurrency point queries and high-throughput analysis. Apache Druid: Java Started in 2011 for low-latency massive ingestion and queries. Support and extensions available from Imply Data. Apache Kudu: C++
The most general form of a 2×2 Hermitian matrix such as the Hamiltonian of a two-state system is given by = (+), where ,, and γ are real numbers with units of energy. The allowed energy levels of the system, namely the eigenvalues of the Hamiltonian matrix, can be found in the usual way.
Quantum Clustering (QC) is a class of data-clustering algorithms that use conceptual and mathematical tools from quantum mechanics. QC belongs to the family of density-based clustering algorithms, where clusters are defined by regions of higher density of data points. QC was first developed by David Horn and Assaf Gottlieb in 2001. [1]
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