Antisymmetrized geminal power (AGP) wave-functions in finite and extended systems

Modern general theory of relativity considers gravity as the curvature of space-time. The theory is based on the principle of equivalence. All bodies fall with the same acceleration in the gravitational field, which is equivalent to locally accelerated reference systems. In this article, we will affirm the concept of gravity as the curvature of the relative wave function of the Universe. That is, a change in the phase of the universal wave function of the Universe near a massive body leads to a change in all other wave functions of bodies. The main task is to find the form of the relative wave function of the Universe, as well as a new equation of gravity for connecting the curvature of the wave function and the density of matter.

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Prolate Spheroidal Wave Functions, Quadrature, and Interpolation

10.21236/ada630173 ◽

2000 ◽

Cited By ~ 5

Author(s):

H. Xiao ◽

V. Rokhlin ◽

N. Yarvin

Keyword(s):

Wave Functions ◽

Prolate Spheroidal ◽

Spheroidal Wave Functions ◽

Prolate Spheroidal Wave Functions

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On the conformational structure of nicotinamide and methyl-1,4-dihydronicotinamide

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19792633 ◽

1979 ◽

Vol 44 (9) ◽

pp. 2633-2638 ◽

Cited By ~ 10

Author(s):

Hans-Jörg Hofmann ◽

Josef Kuthan

Keyword(s):

Molecular Structure ◽

Continuum Model ◽

Model Analysis ◽

Wave Functions ◽

Conformational Structure ◽

Influence Of Solvent

The conformation of nicotinamide (I) and 1-methyl-1,4-dihydronicotinamide (II) was examined using the NDDO method. The influence of solvent on the molecular structure of the title compounds was estimated by means of a continuum model. Analysis of the NDDO wave functions contributes to the knowledge about the mechanism of the NADH reduction.

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An ab initio MO study of conformation structure of nicotinamide and its derivatives

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19831842 ◽

1983 ◽

Vol 48 (7) ◽

pp. 1842-1853 ◽

Cited By ~ 2

Author(s):

Stanislav Böhm ◽

Josef Kuthan

Keyword(s):

Ab Initio ◽

Wave Functions ◽

Semiempirical Calculations ◽

Rigid Rotor ◽

Qualitative Similarity ◽

Ab Initio Mo ◽

Experimental Findings

Conformation of nicotinamide (I), 3-carbamoylpyridinium (IIa), 1-methyl-3-carbamoylpyridinium (IIb), and 1-methyl-1,4-dihydronicotinamide (IIIa) has been studied in the rigid rotor approximation on the basis of non-empirical STO-3G wave functions. The rotation barriers decrease in the order: IIIa > I ~ IIb > IIa. When confronted with semiempirical calculations, the conformation curves of molecular energy show a better qualitative similarity to the EHT than to NDDO and particularly to CNDO/2 curves. Relation of the calculated characteristics to experimental findings is discussed.

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