Latest Contributions

Jul 182011
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Leonie Anna Mueck and Johannes Heymer

Institute of Physical Chemistry, Johannes Gutenberg-University Mainz, Staudinger Weg 9, D-55128 Mainz, Germany
Eberhard Karls University, Tuebingen
Journal of Unsolved Questions, 1, 2, Open Questions, 10-12, 2011 (Received June 25th 2011, accepted July 14th 2011, published July 18th 2011)

“That for which nearly a year had been Vrosnky’s sole and exclusive desire , supplanting all his former desire: That for which Anna had been impossible, dreadful, but all the more betwiching dream of happiness, had come to pass. Pale, with trembling lower jaw, he stood over her, entreating her to be calm, himself not knowing how nor why. … `It’s all over?, she said. `I have nothing but you left. Remember that.?”[1]

Anna Karenina is one of the most prominent and at the same time most tragic adulterers in world literature. What begins as passionate but forbidden love between her and Alexey Vronsky leads to years of ostracism and finally reaches its climax in Anna Karenina’s suicide. In the above scene, where the sexual aspect  of their relationship cannot be overlooked, Anna Karenina already foretells her fate:  “It’s all over”.

The novel is a grand example of  how individuals are torn apart between the social imperative of monogamy and their intrinsic passions. Monogamy is indeed a puzzling social construct, since there seem to be two incompatible souls in us: Our wish for intimacy, consistency, and security on the one hand and our adventurous desires on the other. Some scientists interpret these two souls in a way that suggests that our own evolutionary biology is in conflict with norms and imperatives imposed on us by society and culture. […]

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Keywords: Epidemiology, History of Sexuality

Jul 092011
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Francesco Calcavecchia, Francesco Pederiva, and Thomas D. Kuehne

Institute of Physical Chemistry, Johannes Gutenberg-University Mainz, Staudinger Weg 9, D-55128 Mainz, Germany
Dipartimento di Fisica, University of Trento, via Sommerive 14, I-38050 Povo, Trento, Italy
Lawrence Livermore National Laboratory Livermore, California 94550, USA
Center for Computational Sciences, Johannes Gutenberg-University Mainz, Staudinger Weg 9, D-55128 Mainz, Germany

Journal of Unsolved Questions, 1, 2, Articles 13-18, 2011 (Received June 11th, accepted June 30th, published online July 9th 2011)

We present the Fermionic Shadow Wave Function in the context of variational quantum Monte Carlo for disordered systems. Using the example of liquid 3He it is demonstrated that this allows for very accurate calculations, but due to its sign problem only for small systems. For this reason two novel methods are proposed that in principle solve the associated sign problem, but do not allow for realistic simulations yet.

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Keywords: Fermionic Shadow Wave Function, Variational Monte Carlo

May 082011
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U.B. Lushchyk, V.V. Novytskyy

Clinical Hospital “Feofaniya” and Institutes for Mathematics of NAS of Ukraine, Kyiv, Ukraine

Journal of Unsolved Questions, 1, 2, Open Questions, 8-9, 2011 (Received March 29th 2011, published online May 8th 2011)

The cardiovascular system (CVS) is an essential component in  human health, as the background level of functioning of nearly all organs and systems depends on the blood supply level. It is of a very complicated dynamic mechanism by a type of the closed system of connecting vessels with variable parameters in all its structural segments – heart, vascular walls, as well as intravascular fluid – blood.

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Keywords: cardiovascular system, cardiovascular diseases, hydrohemodynamic laws, Non-Newton liquid

Dec 282010
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Leonie Anna Mueck, Johannes Gutenberg-University, Mainz, Germany

Journal of Unsolved Questions, 1, 1, Articles, 7-12, 2011 (Received December 10th, accepted December 27th, published online December 28th 2010)

The discovery of the first neutral compound with chemically bound argon HArF in 2000 was a sensation in noble gas chemistry. If HArF is interpreted as a donor- acceptor complex with H+ as an strong acceptor and F? as a donor fragment the question arises if light noble gases helium, neon and argon could also form donor- acceptor complexes with common Lewis acids and bases like AlF3 and NH3. A covalent interaction between a Lewis acid, a Lewis base and a noble gas could be achieved by spatially dividing the donor and acceptor fragment thus incorporating the donor-acceptor complex into a cage-like structure. Due to the small polarizability of the light noble gases the Lewis acidity and basicity of the employed donor and acceptor must be extremely high for the noble gas to react with the cage. Novel kinds of organic donors and acceptors were designed to fullfill these criteria. These novel donors and acceptors were included in organic cages that fix geometrical conditions to be most favourable for the formation of complexes with noble gases. Among the many considered cage-types were the particularly aesthetic egg-shaped fullerene-type cages and dragon-shaped cages. Despite their beauty and their conceptual originality, they did not meet the requirements of yielding a negative reaction energy with light noble gases but they may be useful for other purposes, e. g. as hosts for hydrogen molecules.

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Keywords: Noble Gases, Donor-Acceptor Complexes, Computational Chemistry

Dec 282010
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Thomas Jagau, Johannes Gutenberg-Unversity, Mainz, Germany

Journal of Unsolved Questions, 1, 1, Open Questions, 4-7, 2011 (Received December 27th 2010, published online December 28th 2010)

Among the most interesting problems in state-of-the-art theoretical chemistry ranks the question: How can electronic states with multireference character be efficiently treated with chemical accuracy? Multireference problems include bond-breaking processes, biradicalic species, as well as many transition-metal compounds. Their thorough understanding is of great interest for different branches of chemistry and related applied sciences.

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Keywords: Theoretical Chemistry, Multireference Coupled-Cluster Theory

Dec 082010
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Toru Shiozaki, University of Stuttgart, Germany

Journal of Unsolved Questions, 1, 1, Articles, 1-6 (2011) (Received November 14th, published online December 8th 2010)

Explicitly correlated F12 theories have been developed in the past decades to rectify the slow convergence
of dynamical electron correlation models with basis size, in which additional two-electron integrals over F12 kernels
are required. This article reviews some existing algorithms for these integrals, including the author’s attempt,
and leave an open question: what will be the most efficient algorithm (and who wants to implement it into a tightly
optimized code)?

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Keywords: theoretical chemistry, F12 methods, integral evaluation

Aug 062010
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Johannes Heymer, University of Tuebingen, Tuebingen, Germany

Journal of Unsolved Questions, 1, 1, Open Questions, 3-4 (2011) (Received August 4th 2010, Published Online August 6th 2010)

Eric Prochnow raised the question why male infants suffer more from flatulence than female infants. This article implicated the following hypotheses, which are equivalent to the public opinion on excessive crying in infants: 1. There is an organic cause (flatulence)for excessive crying. 2. Flatulence is more common in male infants…

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Keywords: Flatulance, Pediatrics, Pain Perception

Jul 302010
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Christian D. R. Ludwig, Johannes Gutenberg-University Mainz, Mainz, Germany

Journal of Unsolved Questions, 1, 1, Open Questions, 2-3 (2011) (Received July 27th 2010, Published Online July 28th 2010)

Chess is a fun game to play, but for some people it is more than just a game…

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Keywords: Game Theory, Chess, Engine, Tablebases

Jul 212010
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Eric Prochnow, University of Mainz, Mainz, Germany

Journal of Unsolved Questions, 1,  1, Open Questions, 1-2  (2011) (Received July 21st 2010, Published Online July 21st 2010)

The time spent with their baby is usually the best time for parents. However, during the first three months after the baby has been born repeated screaming of the infant is observed that can be very exhausting for parents. The reason for this screaming is often a colic…

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Keywords: Flatulance, Pediatrics, Parenthood