Although the exponential wave function ansatz of coupled-cluster theory was originally proposed by nuclear physicists, it initially found limited applications in quantum-chemistry-inspired coupled-cluster approximations in the field of nuclear physics.
12.
Josef Paldus also wrote his first-hand account of the origins of coupled-cluster theory, its implementation, and exploitation in electronic wave function determination; his account is primarily about the making of coupled-cluster theory rather than about the theory itself.
13.
Josef Paldus also wrote his first-hand account of the origins of coupled-cluster theory, its implementation, and exploitation in electronic wave function determination; his account is primarily about the making of coupled-cluster theory rather than about the theory itself.
14.
What you would probably be better off doing is creating a definition of what the term is in the target languages like " coupled cluster theory " es la teor�a . . .-Talk 22 : 09, 2 March 2006 ( UTC)
15.
Unfortunately, although the results obtained with these functionals are usually sufficiently accurate for most applications, there is no systematic way of improving them ( in contrast to some of the traditional wavefunction-based methods like configuration interaction or coupled cluster theory ).
16.
Mukherjee developed a general time dependent perturbative theory which remains valid for arbitrarily large time range and is free from secular divergences Later, he generalized this in the many body regime and formulated the first general time-dependent coupled cluster theory for wave functions of arbitrary complexity.
17.
The resulting similarity transformed Hamiltonian is non-Hermitian, resulting in different left-and right-handed vectors ( wave functions ) for the same state of interest ( this is what is often referred to in coupled cluster theory as the biorthogonality of the solution, or wave function, though it also applies to other non-Hermitian theories as well ).
18.
Bartlett and his coworkers were the first to formulate and implement coupled cluster theory with all single and double excitation operators ( CCSD ) in 1982, followed by triple ( CCSDT ) in 1987, quadruple ( CCSDTQ ), and even quintuple ( CCSDTQP ) excitation operators, and also many-body perturbation methods up to the sixth order.
19.
Shavitt's landmark achievements include being responsible for two of the first applications of the then newly available computer to chemistry; developing the Gaussian transform method for calculating multicenter integrals of Slater-type orbitals; coining the concept of contracted Gaussian-type orbitals; the GUGA ( Graphical Unitary Group Approach ) to fast configuration interaction calculations; and major contributions to coupled cluster theory.
