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(1)

有本 茂*1

Massoud Amini

*2

Hao Chen

*3 福田信幸*4

Joseph E. LeBlanc

*5

村上達也*6 成木勇夫*7

Mark Spivakovsky

*8 竹内 茂*9

Keith F. Taylor

*10

Hong Yi Wong

*11 山中 聡*12 横谷正明*13

Peter Zizler

*14

Mathematics and chemistry

interdisciplinary joint research and the Fukui Project XXIII

Shigeru ARIMOTO, Massoud AMINI, Hao CHEN, Nobuyuki FUKUDA, Joseph E. LEBLANC Tatsuya MURAKAMI, Isao NARUKI, Mark SPIVAKOVSKY, Shigeru TAKEUCHI

Keith F. TAYLOR, Hong Yi WONG, Satoshi YAMANAKA, Masaaki YOKOTANI and Peter ZIZLER

This is the 23rd part of the series of articles that records and further develops essentials of the Mathematics and Chemistry Interdisciplinary Symposium 2013 Tsuyama, whose main themes were symmetry, periodicity, and repetition. The symposium was held on April 5th and 6th in Tsuyama city, Okayama, Japan, in conjunction with the Fukui Project and was devoted to the memory of the late Professor Kenichi Fukui (1981 Nobel Prize) who initiated the project. The present series also provides challenging cross-disciplinary problems which are directly related to the Fukui conjecture and to recent carbon nanotube research. Some of these problems are formulated using mathematical language not well known among chemists despite the importance of these notions in elucidating additivity and high-speed asymptotic phenomena in molecules having many repeating identical moieties. Some problems are formulated in terms of Fourier analysis connected to the theory of analytic curves, others are formulated in connection with the Science-Art Multi-angle Network (SAM Network) Project, which seeks to bridge Science and Art (visual, audial, and conceptual) for a creative collaboration, and is an important part of the Fukui Project.

Key Words

: the Fukui conjecture, Memoir of Prof. K. Fukui, Unique factorization domain (UFD), Carbon nanotube, Fourier analysis

I Introduction

11. Proof of the Off-diagonal Asymptotic Linearity Theorem X

(q) version using a

Piecewise Monotone Lemma

Shigeru Arimoto, Massoud Amini, Hao Chen Nobuyuki Fukuda, Isao Naruki, Mark Spivakovsky Shigeru Takeuchi, Keith F. Taylor, Satoshi Yamanaka

Masaaki Yokotani and Peter Zizler

In this section, we prove the Off-diagonal Asymptotic

原稿受付 平成29921

*1, *12, *13 総合理工学科 *4 総合理工学科非常勤講師

*2 Dept. of Math.Tarbiat Modares University, Iran

*3 Dept. of Fund.Ed., Dalian Neusoft University of Information, China

*5 School of Integrated Studies, Pennsylvania College of Technology USA

*6 富山県立大学 工学部・医薬品工学科

*7 立命館大学 理工学部・数学物理学系・数理科学科・元教授

*8 CNRS and Institute de Mathématiques de Toulouse, France

*9 岐阜大学 教育学部・数学科

*10 Dept. of Math. and Stat., Dalhousie University, Canada

*11 School of Communication, Arts and Social Sciences, Singapore Polytechnic, Singapore

*14 Dept. of Math., Phys., and Eng., Mount Royal University, Canada

(2)

Linearity Theorem (OALT-X

(q) AC(I) version: OALT- 1.0) which uses the real-analytic version of the Piecewise Monotone Lemma (PML) (Cf. [1-5] and references therein).

We first briefly review two versions of Piecewise Monotone Lemmas: PML1 and PML2 below. For details, the reader is referred to Refs. [1-5]. We recall PML1 for a comparative purpose, but we need only PML2 for our purpose of establishing Off-diagonal Asymptotic Linearity Theorem (OALT-X

(q) AC(I) version: OALT-1.0).

1. Review of Piecewise Monotone Lemmas (PML1 and PML2)

Throughout, let

+

, denote, respectively, the set of all positive integers and the set of all real numbers.

Definition 1. Let S

1

and S

2

be nonempty subsets of . A function f: S

1

 S

2

is said to be nondecreasing if x

1

x

2

implies f(x

1

) ≤ f(x

2

) for all x

1

, x

2

 S

1

. A function f: S

1

 S

2

is said to be nonincreasing if x

1

≤ x

2

implies f(x

2

) ≤ f(x

1

) for all x

1

, x

2

 S

1

. A function f: S

1

 S

2

is said to be monotone if it is either nondecreasing or nonincreasing.

Let a, b  with a < b and let I = [a, b]. A function f: I

 is said to be piecewise monotone if there exists a finite partition

a = x

0

< x

1

< ... < x

n

= b (n 

+

)

of the interval I such that the restriction f | [x

i-1

, x

i

] is monotone for all i  {1,..., n}. In this case, f is said to have an n-partition of monotonicity.

A real-valued function on a subset S  is called real analytic on S if it is the restriction to S of a function which is real analytic on some open set O  S.

Let a, b  with a < b and let I = [a, b].

If f: I  is piecewise monotone, let

Mo(f) := min {n 

+

: f has an n-partition of monotonicity}.

The Mo(f) is called the monotonicity number of f.

If f: I  is not piecewise monotone, let Mo(f) = 

C

(I) : the ring (UFD) of all real analytic functions defined on I.

C

(I)[]: the polynomial ring (UFD) over C

(I) in the indeterminate .

C(I) : the ring of all real-valued continuous functions defined on I.

C(I)[]: the polynomial ring over C(I) in the indeterminate .

[]: the polynomial ring (UFD) over in the indeterminate .

For each   I, let Ev

: C(I)[]  [] be the ring homomorphism defined by

Ev

(c

0

n

+ c

1

n-1

+ ... + c

n

) = c

0

()

n

+ c

1

()

n-1

+ ... + c

n

().

V

I

(): the total variation of a real-valued function  on I, that is,

V

I

() = sup

1 n

i

|(t

i

) (t

i- 1

)|.

(: a = t

0

≤ t

1

≤ . . . ≤ t

n

= b)

CBV(I): the normed space of all real-valued continuous functions of bounded variation on I equipped with the norm given by

|||| = sup {|(t)|: t  I} + V

I

().

Definition 2.2. Let a, b  with a < b and let I = [a, b].

Map(I  , ): the ring of all functions f: I   . C

* (I) : the ring defined by C

* (I) := {f  C(I): f is real analytic in the interior ]a, b[ of I}.

C

* (I)[]: the polynomial ring over C

* (I) in the indeterminate .

C

PM

(I) := {f  C(I): f is piecewise monotone on I}.

Let Fn: C(I)[]  Map(I , ) be the ring homomorphism defined by

Fn(c

0

n

+ c

1

n-1

+ ... + c

n

) = f, where f: I   is the function defined by

f(, ) = c

0

()

n

+ c

1

()

n-1

+ ... + c

n

().

If X and Y are nonempty sets and f: X  Y is a mapping,

(f) denotes the graph of f :

(f) = {(x, f(x))  X  Y: x  X}.

If n is a positive integer, S

n

denotes the group of all bijections : {1, ..., n}  {1, ..., n}, that is, the group of permutations of the set of n elements.

If a, b  with a < b, let H

r

(a, b) denote the set of all real- valued real analytic functions defined on the interval ]a, b[.

Lemma 1 (Piecewise Monotone Lemma, version 1, PML1). Let a, b  with a < b and let I = [a, b]. Let p

 C

(I)[] be a monic polynomial of degree q 

+

given by

p = 

q

+ c

1

q-1

+ ... + c

q

. Suppose that for any   I, the polynomial

Ev

(p) = 

q

+ c

1

()

q-1

+ ... + c

q

()

over the field has q real roots, which we denote by 

1

()

≤ 

2

() ≤ ... ≤ 

q

(). Then all the

j

’s are piecewise monotone, that is,

Mo(

j

) <  for all j  {1, ..., q}.

Lemma 2 (Piecewise Monotone Lemma, version 2,

PML2). Let a, b  with a < b and let I = [a, b]. Let p

(3)

 C

(I)[] be a monic polynomial of degree q 

+

given by

p = 

q

+ c

1

q-1

+ ... + c

q

.

Suppose that for any   I, the polynomial Ev

(p) = 

q

+ c

1

()

q-1

+ ... + c

q

()

over the field has q real roots. Consider p as an element of C

* (I)[]. Then p can be factored into first degree monic polynomials:

p = ( - d

1

)( - d

2

) ... ( - d

q

), where

d

1

, ..., d

q

 C

* (I)  C

PM

(I).

Note 1. For the definitions of X

(q) and the FS map, the reader is referred, respectively, to Eq. (C.1) and Eq.

(C.8) in the Appendix to Part XX of this series. See also Refs. [8,9]. The matrix F() appearing in the following Theorem 1 is a q q real-symmetric matrix for every

   . The matrix F() is sometimes called the F-theta matrix associated with the sequence {A

N

}  X

(q). In Ref.

[9], it was proved that all the eigenvalues of F() are contained in the interval I for all    .

2. Proof of the Off-diagonal Asymptotic Linearity Theorem (OALT-1)

Theorem (OALT-X

(q) AC(I) version: OALT-1). Let q 

+

, let s  , let {A

N

}  X

(q), and let I be a closed interval which contains all the eigenvalues of A

N

for all N 

+

. Then, for any   AC(I), there exists an 

s

()  such that

Tr[((A

N

))( P

Ns

I

q

)] = 

s

()N + o(1) (1) as N  . Moreover, 

s

() is represented by the integral:

s

() =

2

0

1 exp( )Tr ( ( )) 2

is   Fd

  ,

where F is the FS map associated with the sequence {A

N

}.

Proof. Assume that

A

N

=

v Nj j

j v

P Q



  (2) for all N >> 0. Then, the FS map associated with {A

N

} is given by:

F() =

v

exp( )

j j v

ijQ



. (3)

Let D

N

denote the N  N diagonal matrix defined by

D

N

: diag exp( i 2 1 ), exp( i 2 2 ), , exp( i 2 N )

N N N

  

 

 

   .

(4) Recall the fact that the matrix P

N

is expressed in terms of a unitary matrix U

N

and a diagonal matrix D

N

:

P

N

= U

N

D

N

U

N1

. (5) Thus, we have

A

N

= (U

N

I

q

)

v j

N j

j v

D Q



 

  

   (U

N

I

q

)

1

,

(A

N

) = (U

N

I

q

)

1

exp 2

N v k j

j v

ij k N Q

 



        

       

 

     

   (U

N

I

q

)

1

(6)

for all N >> 0, where

1 N

k

 denotes the direct sum of matrices indexed by k.

On the other hand, we have

s

P

N

I

q

= (U

N

I

q

)  D

Ns

I

q

 (U

N

I

q

)

1

,

= (U

N

I

q

)

1

exp 2

N k q

i sk N I

      

         

  (U

N

I

q

)

1

. (7) Thus, by (6) and (7), we have for all N >> 0

Tr[((A

N

))( P

Ns

I

q

)] =

Tr[(U

N

I

q

)

1

2 2

N

exp

k

i sk k

N F N

  

          

                 

  (U

N

I

q

)

1

]

= Tr

1

2 2

N

exp

k

i sk k

N F N

  

          

                 

 

=

1 N

k

Tr exp   i 2 N sk         F   2 N k  

=

1 N

k

Tr   cos   2 N sk         F   2 N k      + i

1 N

k

Tr sin 2 N sk       F 2 N k

=

1 N

k

1

2 2

cos

q m m

sk k

N h N

  

         

                 

  

+ i

1 N

k

1

2 2

sin

q m m

sk k

N h N

  

         

                 

  

(4)

=

1 N

k

1

2 2

cos

q

m m

sk k

N h N

  

         

                 

  

+ i

1 N

k

1

2 2

sin

q

m m

sk k

N h N

  

         

                 

   .

(8) Here h

m

( )  denotes the analytically expressed eigenvalue of F() with the index m. By the analytic version (PML2 reproduced above) of the Piecewise Monotone Lemma (PML) [1-5], we know that there are q real analytic functions h

1

, h

2

,…, h

q

defined on [0, 2] such that h

1

(), h

2

(),…, h

q

() are all the eigenvalues of F() for every   [0, 2].

Note: The functional space AC(I) forms an algebra with respect to the linear operations and the multiplication of functions.

It is thus easy to see that for any   AC(I), the function

1

(cos ) ( ( ))

q

m m

s h

   

 (9)

is absolutely continuous on [0, 2 ] and that for any   AC(I), the function

1

(sin ) ( ( ))

q

m m

s h

   

 (10)

is absolutely continuous on [0, 2]. Now either Zizler’s Theorem, or Theorem 1 reproduced below implies that

Tr[((A

N

))( P

Ns

I

q

)] =

2 0

1 exp( )Tr ( ( )) 2

is   Fd N

  + o(1) (11)

as N  . (Note that the sequence Tr[((A

N

))( P

Ns

I

q

)] is a real sequence.) The conclusion follows. //

Theorem 1. Let a, b  with a < b, let x(N, k) := a + (b

a)k/N, and let f  AC[a, b]. We have

1 N

k

f(x(N, k)) = (1/(b a))(

b

( )

a

f   d

)N +

(1/2)(f(b)  f(a)) + o(1) (12) as N  .

Proof. This was first proved in [6] by using the ALT. //

Note: The above Theorem 1 follows directly from Zizler’s Theorem which was proved by Peter Zizler for the first

time in Section 3 of [7].

References

[1] S. Arimoto, M. Spivakovsky, K.F. Taylor, and P.G. Mezey, Proof of the Fukui conjecture via resolution of singularities and related methods. I, J.

Math. Chem. 37 (2005) 75-91.

[2] S. Arimoto, M. Spivakovsky, K.F. Taylor, and P.G. Mezey, Proof of the Fukui conjecture via resolution of singularities and related methods. II, J.

Math. Chem. 37 (2005) 171-189.

[3] S. Arimoto, Proof of the Fukui conjecture via resolution of singularities and related methods. III, J. Math. Chem. 47 (2010) 856-870.

[4] S. Arimoto, M. Spivakovsky, K.F. Taylor, and P.G. Mezey, Proof of the Fukui conjecture via resolution of singularities and related methods. IV, J.

Math. Chem. 48 (2010) 776-790.

[5] S. Arimoto, M. Spivakovsky, E. Yoshida, K.F. Taylor, and P.G. Mezey, Proof of the Fukui conjecture via resolution of singularities and related methods. V, J. Math. Chem. 49 (2011) 1700-1712.

[6] S. Arimoto, The Second Generation Fukui Project and a New Application of the Asymptotic Linearity Theorem, Bulletin of Tsuyama National College of Technology, 52 (2010) 49-56.

[7] S. Arimoto, M. Amini, N. Fukuda, J.E. LeBlanc, T. Murakami, I.

Naruki, M. Spivakovsky, S. Takeuchi, K.F. Taylor, S. Yamanaka, M.

Yokotani, and P. Zizler, "Mathematics and Chemistry Interdisciplinary Joint Research and the Fukui Project XIV", Bulletin of National Institute of Technology, Tsuyama College 58 (2016) 35-39.

[8] S. Arimoto and G.G. Hall, Integral Representation of a Fundamental Functional for the Study of the Zero-Point Vibrational Energy of Hydrocarbons and the Total Pi-Electron Energy of Alternant Hydrocarbons, Int. J. Quantum Chem. 46 (1992) 612-635.

[9] S. Arimoto, New proof of the Fukui conjecture by the Functional Asymptotic Linearity Theorem, J. Math. Chem. 34 (2003) 259-285.

Concluding Remarks

Shigeru Arimoto

On behalf of my co-authors and myself, I would like to express sincere gratitude to all who helped in enhancing the Fukui Project. Special thanks are due to Professor T.

Yamabe, who has collaborated in the program related to

the Fukui conjecture, carbon nanotubes, and also to

Professor Kyoji Saito, who provided the initial idea of

using UFDs in the applications of resolution of

singularities and related methods for establishing the

Asymptotic Linearity Theorems (ALTs). We remark here

that the Piecewise Monotone Lemmas (PMLs) which were

indispensable for proving every version of the ALTs were

provided by M. Spivakovsky, I. Naruki, and K. Saito.

(5)

Acknowledgements

The first author (S.A) was supported by the Tsuyama College President Fund. The second author (M.A.) was partially supported by Iran National Science Foundation (INSF Grant No. 88002044).

On behalf of the authors of this series of papers, the first author (S.A.) would like to express sincere gratitude to Dr.

T. Noritsugu, President of Tsuyama College, National

Institute of Technology, his predecessor Dr. H. Inaba, and

members of the Fukui Project Association for their help in

holding our Symposium 2013 Tsuyama and promoting our

interdisciplinary and international collaborations. The

Symposium was also supported by the Tsuyama City and

the Tsuyama City Educational Board, which we would

also like to thank cordially.

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