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In gate-based quantum computing, various sets of quantum logic gates are commonly used to express quantum operations. The following tables list several unitary quantum logic gates, together with their common name, how they are represented, and some of their properties.
The rotation operators R x (θ), R y (θ), R z (θ), the phase shift gate P(φ) [c] and CNOT are commonly used to form a universal quantum gate set. [20] [d] The Clifford set {CNOT, H, S} + T gate. The Clifford set alone is not a universal quantum gate set, as it can be efficiently simulated classically according to the Gottesman–Knill theorem.
Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases. [1] It is commercial software marketed by the company Schrödinger . The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called ...
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 .
The quantum logic gates are reversible unitary transformations on at least one qubit. Multiple qubits taken together are referred to as quantum registers. To define quantum gates, we first need to specify the quantum replacement of an n-bit datum. The quantized version of classical n-bit space {0,1} n is the Hilbert space
PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay's group but now it is developed and distributed commercially by Parallel Quantum Solutions. There is a reduction in cost for academic users and a site license.
Q-Chem can perform a number of general quantum chemistry calculations, such as Hartree–Fock, density functional theory (DFT) including time-dependent DFT (), Møller–Plesset perturbation theory (MP2), coupled cluster (CC), equation-of-motion coupled-cluster (EOM-CC), [10] [11] [12] configuration interaction (CI), algebraic diagrammatic construction (ADC), and other advanced electronic ...
Dirac is one of the most successful general-purpose quantum chemistry packages that provides accurate description of relativistic effects in molecules, using the Dirac equation as its starting point. [1] The program is available in source code form, at no cost, to the academic community.