Generalized product expansions for pair‐correlated wavefunctions
نویسندگان
چکیده
منابع مشابه
Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications
Methods of efficiently optimizing the orbitals of generalized valence bond (GVB) wavefunctions are discussed and applied to LiH, BH, H3, H,O, C6Hs, and o,. The strong orthogonality and perfect pairing restrictions are tested for the X 1::!:+ state of LiH, the X 1::!:+, a 3II, and A 1II states of BH, and the H2+ D;::::: H + HD exchange reaction. The orbitals of H,O and C2H6 naturally localize in...
متن کاملGeneralized Wavefunctions for Correlated Quantum Oscillators III: Chaos, Irreversibility
In this third of a series of four articles, we continue the study of the representations of the dynamical transformations of systems of correlated quantized oscillators. By including generalized wave function solutions to Schrödinger’s equation (belonging to a rigged Hilbert space), and by considering the algebra of observables as a whole, the presence of Devaney chaos, hyperbolic quasi-invaria...
متن کاملGeneralized Eigenfunction Expansions for Operator Algebras^)
A generalized eigenfunction expansion may be regarded as a representation for the spectral theorem by a transform technique. These representations have been presented in many forms, an early version of which was the von Neumann "direct integral" decomposition for a class of operator algebras [l9]. In 1953 [17], Mautner applied the von Neumann technique to the class of operators acting in an L2-...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1973
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1680507